N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide

C7H7N7S — CID 172960814

IUPACN'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
SMILES[H]/N=N/C(=N\N)c1ccc2n[nH]c(=S)n2c1
InChIInChI=1S/C7H7N7S/c8-10-6(11-9)4-1-2-5-12-13-7(15)14(5)3-4/h1-3,8H,9H2,(H,13,15)/b10-8+,11-6-
InChIKeyYKFDMYDUKCHNKQ-OSHZIQPQSA-N
MW221.25 g/mol
LogP1.04
Rot. Bonds1

About N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide

N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide (PubChem CID 172960814) has the molecular formula C7H7N7S and a molecular weight of 221.25 g/mol. Its IUPAC name is N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide.

Molecular Properties

Compound NameN'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
PubChem CID172960814
Molecular FormulaC7H7N7S
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC NameN'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
SMILES[H]/N=N/C(=N\N)c1ccc2n[nH]c(=S)n2c1
InChIInChI=1S/C7H7N7S/c8-10-6(11-9)4-1-2-5-12-13-7(15)14(5)3-4/h1-3,8H,9H2,(H,13,15)/b10-8+,11-6-
InChIKeyYKFDMYDUKCHNKQ-OSHZIQPQSA-N
XLogP1.04
TPSA107.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
CID 143942688
6-iodo-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 67444271
benzyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 166189955
(3,3-dimethyl-2-oxobutyl) 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 166189959
6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 89443564
6-chloro-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;1-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 70395740
benzene-1,4-dicarboximidate;iron(2+);hydrochloride
CID 175040319
6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 164640392
4-[[3-[4-[(Z)-N-iminocarbamohydrazonoyl]phenyl]oxiran-2-yl]amino]-3-methoxybenzoic acid
CID 142223660
[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
CID 83873033
3-ethyl-4-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 135569460
4-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 5410296

Frequently Asked Questions

What is the IUPAC name of N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
The IUPAC name of N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide (CID 172960814) is N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide.
What is the SMILES notation for N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
The canonical SMILES for N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide is [H]/N=N/C(=N\N)c1ccc2n[nH]c(=S)n2c1.
What is the InChIKey of N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
The InChIKey is YKFDMYDUKCHNKQ-OSHZIQPQSA-N. The full InChI is InChI=1S/C7H7N7S/c8-10-6(11-9)4-1-2-5-12-13-7(15)14(5)3-4/h1-3,8H,9H2,(H,13,15)/b10-8+,11-6-.
What are the key properties of N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide has a molecular weight of 221.25 g/mol, XLogP of 1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide is sourced from PubChem (CID 172960814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).