3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide

C8H10ClN11O — CID 57401403

IUPAC3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(Cl)c(NCc2nn[nH]n2)nc1N
InChIInChI=1S/C8H10ClN11O/c9-4-6(13-1-2-17-19-20-18-2)15-5(10)3(14-4)7(21)16-8(11)12/h1H2,(H3,10,13,15)(H4,11,12,16,21)(H,17,18,19,20)
InChIKeyUWNBWRDWTWDVKO-UHFFFAOYSA-N
MW311.70 g/mol
LogP-1.75
Rot. Bonds4

About 3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide

3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 57401403) has the molecular formula C8H10ClN11O and a molecular weight of 311.70 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide
PubChem CID57401403
Molecular FormulaC8H10ClN11O
Molecular Weight311.70 g/mol
Exact Mass311.08
IUPAC Name3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(Cl)c(NCc2nn[nH]n2)nc1N
InChIInChI=1S/C8H10ClN11O/c9-4-6(13-1-2-17-19-20-18-2)15-5(10)3(14-4)7(21)16-8(11)12/h1H2,(H3,10,13,15)(H4,11,12,16,21)(H,17,18,19,20)
InChIKeyUWNBWRDWTWDVKO-UHFFFAOYSA-N
XLogP-1.75
TPSA199.76 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 5-1.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-chloro-N-(diaminomethylidene)-5-[2-(2H-tetrazol-5-yl)ethylamino]pyrazine-2-carboxamide;hydrochloride
CID 57392706
3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 57394421
3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane
CID 153371782
3-[[6-amino-3-chloro-5-(diaminomethylidenecarbamoyl)pyrazin-2-yl]amino]propanoic acid;hydrochloride
CID 57396266
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;methanesulfonic acid
CID 175022867
3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
CID 130008687
CID 58385780
CID 58385780
CID 58385786
CID 58385786
3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide
CID 88911387
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 25191031
4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106194511
3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride
CID 70616529

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide (CID 57401403) is 3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide is NC(N)=NC(=O)c1nc(Cl)c(NCc2nn[nH]n2)nc1N.
What is the InChIKey of 3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is UWNBWRDWTWDVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN11O/c9-4-6(13-1-2-17-19-20-18-2)15-5(10)3(14-4)7(21)16-8(11)12/h1H2,(H3,10,13,15)(H4,11,12,16,21)(H,17,18,19,20).
What are the key properties of 3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide?
3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 311.70 g/mol, XLogP of -1.75, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 57401403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).