[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine

C9H13N9S — CID 80922351

IUPAC[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Sc2ncn[nH]2)nc(N2CCCC2)n1
InChIInChI=1S/C9H13N9S/c10-16-6-13-7(18-3-1-2-4-18)15-9(14-6)19-8-11-5-12-17-8/h5H,1-4,10H2,(H,11,12,17)(H,13,14,15,16)
InChIKeySFCQHUKSUZXZDG-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.03
Rot. Bonds4

About [4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine

[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80922351) has the molecular formula C9H13N9S and a molecular weight of 279.33 g/mol. Its IUPAC name is [4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80922351
Molecular FormulaC9H13N9S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Sc2ncn[nH]2)nc(N2CCCC2)n1
InChIInChI=1S/C9H13N9S/c10-16-6-13-7(18-3-1-2-4-18)15-9(14-6)19-8-11-5-12-17-8/h5H,1-4,10H2,(H,11,12,17)(H,13,14,15,16)
InChIKeySFCQHUKSUZXZDG-UHFFFAOYSA-N
XLogP0.03
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924900
[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80924947
(4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80928949
[4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930406
(4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925437
(4-ethylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925076
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80925112
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923798
(4-cyclohexylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80923900
2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80873934
(4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924912
N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80884418

Frequently Asked Questions

What is the IUPAC name of [4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (CID 80922351) is [4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is NNc1nc(Sc2ncn[nH]2)nc(N2CCCC2)n1.
What is the InChIKey of [4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is SFCQHUKSUZXZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N9S/c10-16-6-13-7(18-3-1-2-4-18)15-9(14-6)19-8-11-5-12-17-8/h5H,1-4,10H2,(H,11,12,17)(H,13,14,15,16).
What are the key properties of [4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 279.33 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80922351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).