1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide

C10H15N7O — CID 82873730

IUPAC1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide
SMILESCn1ccc(CNC(=O)c2cn(CCN)nn2)n1
InChIInChI=1S/C10H15N7O/c1-16-4-2-8(14-16)6-12-10(18)9-7-17(5-3-11)15-13-9/h2,4,7H,3,5-6,11H2,1H3,(H,12,18)
InChIKeyZKASLANZGGBDCO-UHFFFAOYSA-N
MW249.28 g/mol
LogP-1.10
Rot. Bonds5

About 1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide

1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide (PubChem CID 82873730) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide
PubChem CID82873730
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide
SMILESCn1ccc(CNC(=O)c2cn(CCN)nn2)n1
InChIInChI=1S/C10H15N7O/c1-16-4-2-8(14-16)6-12-10(18)9-7-17(5-3-11)15-13-9/h2,4,7H,3,5-6,11H2,1H3,(H,12,18)
InChIKeyZKASLANZGGBDCO-UHFFFAOYSA-N
XLogP-1.10
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 ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 82874220
1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)triazole-4-carboxamide
CID 114186214
1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide
CID 70788626
5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 82875126
6-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridazine-3-carboxamide
CID 82875427
1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide
CID 106337535
1-(2-aminoethyl)-N-[[3-(difluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 70763522
1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312267
4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19329156
1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide
CID 66004025
1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
CID 105417102
1-(2-aminoethyl)-N-but-3-yn-2-yltriazole-4-carboxamide
CID 114417029

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide (CID 82873730) is 1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide is Cn1ccc(CNC(=O)c2cn(CCN)nn2)n1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is ZKASLANZGGBDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-16-4-2-8(14-16)6-12-10(18)9-7-17(5-3-11)15-13-9/h2,4,7H,3,5-6,11H2,1H3,(H,12,18).
What are the key properties of 1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 249.28 g/mol, XLogP of -1.10, 5 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-methylpyrazol-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 82873730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).