1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

C12H16N4O3 — CID 113310987

IUPAC1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C12H16N4O3/c17-10(9-14-8(15-16-9)7-2-3-7)13-6-12(11(18)19)4-1-5-12/h7H,1-6H2,(H,13,17)(H,18,19)(H,14,15,16)
InChIKeyHDGIEZNKYLHJOL-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.67
Rot. Bonds5

About 1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 113310987) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID113310987
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C12H16N4O3/c17-10(9-14-8(15-16-9)7-2-3-7)13-6-12(11(18)19)4-1-5-12/h7H,1-6H2,(H,13,17)(H,18,19)(H,14,15,16)
InChIKeyHDGIEZNKYLHJOL-UHFFFAOYSA-N
XLogP0.67
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114117439
5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide
CID 107854514
5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319577
5-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 107390227
5-cyclopropyl-N-(4-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 106137462
N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 80507237
5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 81177029
1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496294
1-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432875
1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 102742459
N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide
CID 131449897
1-[(2H-benzotriazole-5-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362421

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 113310987) is 1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is HDGIEZNKYLHJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-10(9-14-8(15-16-9)7-2-3-7)13-6-12(11(18)19)4-1-5-12/h7H,1-6H2,(H,13,17)(H,18,19)(H,14,15,16).
What are the key properties of 1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113310987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).