1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide

C12H19N7O — CID 70771814

IUPAC1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide
SMILESCCCn1cc(CNC(=O)c2cn(CCN)nn2)cn1
InChIInChI=1S/C12H19N7O/c1-2-4-18-8-10(7-15-18)6-14-12(20)11-9-19(5-3-13)17-16-11/h7-9H,2-6,13H2,1H3,(H,14,20)
InChIKeyOKPGVHYBURDXLV-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.23
Rot. Bonds7

About 1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide

1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 70771814) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID70771814
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide
SMILESCCCn1cc(CNC(=O)c2cn(CCN)nn2)cn1
InChIInChI=1S/C12H19N7O/c1-2-4-18-8-10(7-15-18)6-14-12(20)11-9-19(5-3-13)17-16-11/h7-9H,2-6,13H2,1H3,(H,14,20)
InChIKeyOKPGVHYBURDXLV-UHFFFAOYSA-N
XLogP-0.23
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide (CID 70771814) is 1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide is CCCn1cc(CNC(=O)c2cn(CCN)nn2)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is OKPGVHYBURDXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-2-4-18-8-10(7-15-18)6-14-12(20)11-9-19(5-3-13)17-16-11/h7-9H,2-6,13H2,1H3,(H,14,20).
What are the key properties of 1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(1-propylpyrazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 70771814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).