2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

C8H14N4 — CID 81014034

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCn1ncnc1CC1CCC1N
InChIInChI=1S/C8H14N4/c1-12-8(10-5-11-12)4-6-2-3-7(6)9/h5-7H,2-4,9H2,1H3
InChIKeySCZDWRHBPLRNPU-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.09
Rot. Bonds2

About 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 81014034) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID81014034
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCn1ncnc1CC1CCC1N
InChIInChI=1S/C8H14N4/c1-12-8(10-5-11-12)4-6-2-3-7(6)9/h5-7H,2-4,9H2,1H3
InChIKeySCZDWRHBPLRNPU-UHFFFAOYSA-N
XLogP0.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
2-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)propan-1-amine hydrochloride
CID 47000789
rac-(1r,4r)-4-(4-methyl-4H-1,2,4-triazol-3-yl)cyclohexan-1-amine dihydrochloride
CID 155822918
2-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)propan-1-amine
CID 24693648
4-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 146389227
2-Methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)propan-1-amine
CID 45791156
1-(1-Methyl-1H-1,2,4-triazol-5-yl)propan-1-amine
CID 45490077
(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 28064532
5-Cyclobutyl-1-methyl-1,2,4-triazole
CID 15496058
4-(4-methyl-4H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 62693871
4,4,4-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 65606062

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (CID 81014034) is 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is Cn1ncnc1CC1CCC1N.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is SCZDWRHBPLRNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-8(10-5-11-12)4-6-2-3-7(6)9/h5-7H,2-4,9H2,1H3.
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81014034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).