potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine

C19H31KN22OS — CID 159116263

IUPACpotassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine
SMILESNCc1nnc(N)nn1.Nc1nnc(=O)[nH]n1.Nc1nnc([S-])nn1.[K+].c1nc(N2CCCCC2)nnc1N1CCNCC1
InChIInChI=1S/C12H20N6.C3H6N6.C2H3N5O.C2H3N5S.K/c1-2-6-18(7-3-1)12-14-10-11(15-16-12)17-8-4-13-5-9-17;4-1-2-6-8-3(5)9-7-2;2*3-1-4-6-2(8)7-5-1;/h10,13H,1-9H2;1,4H2,(H2,5,8,9);2*(H2,3,4,5)(H,6,7,8);/q;;;;+1/p-1
InChIKeyKFCXWPAZFLBROB-UHFFFAOYSA-M
MW654.77 g/mol
LogP-7.52
Rot. Bonds3

About potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine

potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine (PubChem CID 159116263) has the molecular formula C19H31KN22OS and a molecular weight of 654.77 g/mol. Its IUPAC name is potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Namepotassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine
PubChem CID159116263
Molecular FormulaC19H31KN22OS
Molecular Weight654.77 g/mol
Exact Mass654.24
IUPAC Namepotassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine
SMILESNCc1nnc(N)nn1.Nc1nnc(=O)[nH]n1.Nc1nnc([S-])nn1.[K+].c1nc(N2CCCCC2)nnc1N1CCNCC1
InChIInChI=1S/C12H20N6.C3H6N6.C2H3N5O.C2H3N5S.K/c1-2-6-18(7-3-1)12-14-10-11(15-16-12)17-8-4-13-5-9-17;4-1-2-6-8-3(5)9-7-2;2*3-1-4-6-2(8)7-5-1;/h10,13H,1-9H2;1,4H2,(H2,5,8,9);2*(H2,3,4,5)(H,6,7,8);/q;;;;+1/p-1
InChIKeyKFCXWPAZFLBROB-UHFFFAOYSA-M
XLogP-7.52
TPSA335.91 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 5-7.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine with MolForge

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Related Compounds

6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;3-amino-1H-1,2,4,5-tetrazine-6-thione;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine
CID 162167794

Frequently Asked Questions

What is the IUPAC name of potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine?
The IUPAC name of potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine (CID 159116263) is potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine.
What is the SMILES notation for potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine?
The canonical SMILES for potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine is NCc1nnc(N)nn1.Nc1nnc(=O)[nH]n1.Nc1nnc([S-])nn1.[K+].c1nc(N2CCCCC2)nnc1N1CCNCC1.
What is the InChIKey of potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine?
The InChIKey is KFCXWPAZFLBROB-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N6.C3H6N6.C2H3N5O.C2H3N5S.K/c1-2-6-18(7-3-1)12-14-10-11(15-16-12)17-8-4-13-5-9-17;4-1-2-6-8-3(5)9-7-2;2*3-1-4-6-2(8)7-5-1;/h10,13H,1-9H2;1,4H2,(H2,5,8,9);2*(H2,3,4,5)(H,6,7,8);/q;;;;+1/p-1.
What are the key properties of potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine?
potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine has a molecular weight of 654.77 g/mol, XLogP of -7.52, 3 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-(aminomethyl)-1,2,4,5-tetrazin-3-amine;6-amino-1,2,4,5-tetrazine-3-thiolate;3-amino-1H-1,2,4,5-tetrazin-6-one;6-piperazin-1-yl-3-piperidin-1-yl-1,2,4-triazine is sourced from PubChem (CID 159116263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).