2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C11H17N7O — CID 106281020

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2ncn[nH]2)c(C)c1N
InChIInChI=1S/C11H17N7O/c1-6-10(12)8(3)18(17-6)4-9(19)15-7(2)11-13-5-14-16-11/h5,7H,4,12H2,1-3H3,(H,15,19)(H,13,14,16)
InChIKeyVPPWMJDCQMBYFO-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.08
Rot. Bonds4

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 106281020) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID106281020
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2ncn[nH]2)c(C)c1N
InChIInChI=1S/C11H17N7O/c1-6-10(12)8(3)18(17-6)4-9(19)15-7(2)11-13-5-14-16-11/h5,7H,4,12H2,1-3H3,(H,15,19)(H,13,14,16)
InChIKeyVPPWMJDCQMBYFO-UHFFFAOYSA-N
XLogP0.08
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 106281020) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is Cc1nn(CC(=O)NC(C)c2ncn[nH]2)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is VPPWMJDCQMBYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-6-10(12)8(3)18(17-6)4-9(19)15-7(2)11-13-5-14-16-11/h5,7H,4,12H2,1-3H3,(H,15,19)(H,13,14,16).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 106281020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).