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

C10H17N5O2 — CID 66004025

IUPAC1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NCC2CC(O)C2)nn1
InChIInChI=1S/C10H17N5O2/c11-1-2-15-6-9(13-14-15)10(17)12-5-7-3-8(16)4-7/h6-8,16H,1-5,11H2,(H,12,17)
InChIKeyQXVZTMOMUKRMBV-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.26
Rot. Bonds5

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

1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide (PubChem CID 66004025) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide
PubChem CID66004025
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NCC2CC(O)C2)nn1
InChIInChI=1S/C10H17N5O2/c11-1-2-15-6-9(13-14-15)10(17)12-5-7-3-8(16)4-7/h6-8,16H,1-5,11H2,(H,12,17)
InChIKeyQXVZTMOMUKRMBV-UHFFFAOYSA-N
XLogP-1.26
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide (CID 66004025) is 1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide is NCCn1cc(C(=O)NCC2CC(O)C2)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide?
The InChIKey is QXVZTMOMUKRMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-1-2-15-6-9(13-14-15)10(17)12-5-7-3-8(16)4-7/h6-8,16H,1-5,11H2,(H,12,17).
What are the key properties of 1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 66004025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).