2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C10H15N7O — CID 63328749

IUPAC2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnnc1CCNC(=O)Cn1cc(N)cn1
InChIInChI=1S/C10H15N7O/c1-16-7-13-15-9(16)2-3-12-10(18)6-17-5-8(11)4-14-17/h4-5,7H,2-3,6,11H2,1H3,(H,12,18)
InChIKeyKGAJFGZTJQXMRY-UHFFFAOYSA-N
MW249.28 g/mol
LogP-1.05
Rot. Bonds5

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

2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 63328749) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID63328749
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnnc1CCNC(=O)Cn1cc(N)cn1
InChIInChI=1S/C10H15N7O/c1-16-7-13-15-9(16)2-3-12-10(18)6-17-5-8(11)4-14-17/h4-5,7H,2-3,6,11H2,1H3,(H,12,18)
InChIKeyKGAJFGZTJQXMRY-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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Related Compounds

2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
3-(4-aminophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 104502614
2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate
CID 83201957
2-(4-aminopyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 43185729
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 61102926
2-(4-aminopyrazol-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 114138928
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 107905239
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide
CID 63330292
ethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoacetate
CID 63330652
2-(4-aminopyrazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 43382460

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 63328749) is 2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is Cn1cnnc1CCNC(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is KGAJFGZTJQXMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-16-7-13-15-9(16)2-3-12-10(18)6-17-5-8(11)4-14-17/h4-5,7H,2-3,6,11H2,1H3,(H,12,18).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-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-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 63328749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).