2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide

C9H9ClN6OS — CID 2455870

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(Cl)cn2)n[nH]1
InChIInChI=1S/C9H9ClN6OS/c10-5-1-2-6(12-3-5)13-7(17)4-18-9-14-8(11)15-16-9/h1-3H,4H2,(H,12,13,17)(H3,11,14,15,16)
InChIKeyMODHUZSQTQZXNU-UHFFFAOYSA-N
MW284.73 g/mol
LogP1.17
Rot. Bonds4

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 2455870) has the molecular formula C9H9ClN6OS and a molecular weight of 284.73 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID2455870
Molecular FormulaC9H9ClN6OS
Molecular Weight284.73 g/mol
Exact Mass284.02
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(Cl)cn2)n[nH]1
InChIInChI=1S/C9H9ClN6OS/c10-5-1-2-6(12-3-5)13-7(17)4-18-9-14-8(11)15-16-9/h1-3H,4H2,(H,12,13,17)(H3,11,14,15,16)
InChIKeyMODHUZSQTQZXNU-UHFFFAOYSA-N
XLogP1.17
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide (CID 2455870) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide is Nc1nc(SCC(=O)Nc2ccc(Cl)cn2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is MODHUZSQTQZXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6OS/c10-5-1-2-6(12-3-5)13-7(17)4-18-9-14-8(11)15-16-9/h1-3H,4H2,(H,12,13,17)(H3,11,14,15,16).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 284.73 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 2455870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).