2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide

C10H15N7O — CID 61214435

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
SMILESCn1ccnc1CCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H15N7O/c1-16-5-4-12-8(16)2-3-13-9(18)6-17-7-14-10(11)15-17/h4-5,7H,2-3,6H2,1H3,(H2,11,15)(H,13,18)
InChIKeyUXPUNOXQHWRFAO-UHFFFAOYSA-N
MW249.28 g/mol
LogP-1.05
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide (PubChem CID 61214435) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
PubChem CID61214435
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
SMILESCn1ccnc1CCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H15N7O/c1-16-5-4-12-8(16)2-3-13-9(18)6-17-7-14-10(11)15-17/h4-5,7H,2-3,6H2,1H3,(H2,11,15)(H,13,18)
InChIKeyUXPUNOXQHWRFAO-UHFFFAOYSA-N
XLogP-1.05
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide (CID 61214435) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide is Cn1ccnc1CCNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The InChIKey is UXPUNOXQHWRFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-16-5-4-12-8(16)2-3-13-9(18)6-17-7-14-10(11)15-17/h4-5,7H,2-3,6H2,1H3,(H2,11,15)(H,13,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide has a molecular weight of 249.28 g/mol, XLogP of -1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 61214435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).