2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide

C11H14N6OS — CID 105352430

IUPAC2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2nncn2N)cc1
InChIInChI=1S/C11H14N6OS/c12-15-10(18)5-8-1-3-9(4-2-8)6-19-11-16-14-7-17(11)13/h1-4,7H,5-6,12-13H2,(H,15,18)
InChIKeyAVYOTZZMVWDNKO-UHFFFAOYSA-N
MW278.34 g/mol
LogP-0.18
Rot. Bonds5

About 2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide

2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide (PubChem CID 105352430) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide
PubChem CID105352430
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2nncn2N)cc1
InChIInChI=1S/C11H14N6OS/c12-15-10(18)5-8-1-3-9(4-2-8)6-19-11-16-14-7-17(11)13/h1-4,7H,5-6,12-13H2,(H,15,18)
InChIKeyAVYOTZZMVWDNKO-UHFFFAOYSA-N
XLogP-0.18
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 55213514
2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 63581836
3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 741329
2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetic acid
CID 105345060
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581833
4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
CID 63581838
3-[[6-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 23660778
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 33294554
2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352452
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 3898863
2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352338
3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 3520280

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide (CID 105352430) is 2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CSc2nncn2N)cc1.
What is the InChIKey of 2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide?
The InChIKey is AVYOTZZMVWDNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c12-15-10(18)5-8-1-3-9(4-2-8)6-19-11-16-14-7-17(11)13/h1-4,7H,5-6,12-13H2,(H,15,18).
What are the key properties of 2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide?
2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide has a molecular weight of 278.34 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).