[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine

C10H16N4 — CID 115447053

IUPAC[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine
SMILESNCC1(c2n[nH]c(C3CC3)n2)CCC1
InChIInChI=1S/C10H16N4/c11-6-10(4-1-5-10)9-12-8(13-14-9)7-2-3-7/h7H,1-6,11H2,(H,12,13,14)
InChIKeyUNKPFXGAMLKDLW-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.06
Rot. Bonds3

About [1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine

[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine (PubChem CID 115447053) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is [1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine
PubChem CID115447053
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine
SMILESNCC1(c2n[nH]c(C3CC3)n2)CCC1
InChIInChI=1S/C10H16N4/c11-6-10(4-1-5-10)9-12-8(13-14-9)7-2-3-7/h7H,1-6,11H2,(H,12,13,14)
InChIKeyUNKPFXGAMLKDLW-UHFFFAOYSA-N
XLogP1.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine
CID 115437062
5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole
CID 63145213
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451878
[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020
2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
CID 165440577
5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine
CID 79531743
[1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117391802
[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800850
2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
CID 115429046
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine
CID 62674842
[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902705
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine
CID 61336979

Frequently Asked Questions

What is the IUPAC name of [1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine (CID 115447053) is [1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine is NCC1(c2n[nH]c(C3CC3)n2)CCC1.
What is the InChIKey of [1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
The InChIKey is UNKPFXGAMLKDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-6-10(4-1-5-10)9-12-8(13-14-9)7-2-3-7/h7H,1-6,11H2,(H,12,13,14).
What are the key properties of [1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine has a molecular weight of 192.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 115447053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).