[1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine

C7H12N4 — CID 96635679

IUPAC[1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine
SMILESCc1n[nH]nc1C1(CN)CC1
InChIInChI=1S/C7H12N4/c1-5-6(10-11-9-5)7(4-8)2-3-7/h2-4,8H2,1H3,(H,9,10,11)
InChIKeyTVMMDAUJSBZUIX-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.10
Rot. Bonds2

About [1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine

[1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine (PubChem CID 96635679) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is [1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine
PubChem CID96635679
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name[1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine
SMILESCc1n[nH]nc1C1(CN)CC1
InChIInChI=1S/C7H12N4/c1-5-6(10-11-9-5)7(4-8)2-3-7/h2-4,8H2,1H3,(H,9,10,11)
InChIKeyTVMMDAUJSBZUIX-UHFFFAOYSA-N
XLogP0.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451878
[1-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine
CID 82412691
[1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropyl]methanamine
CID 82407544
2-[1-(5-methyl-1H-pyrazol-3-yl)cyclopropyl]ethanamine
CID 82414425
[1-(1-methylpyrazol-4-yl)cyclopropyl]methanamine
CID 82594919
[1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride
CID 129319570
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
[1-(5-bromo-4-methyl-2-pyridinyl)cyclopropyl]methanamine
CID 130544931
5-[1-(aminomethyl)cyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 131304128
[1-(4-methyl-2-propyl-1,3-thiazol-5-yl)cyclopropyl]methanamine
CID 116886887
4-bromo-5-methyl-2H-triazole;hydrochloride
CID 70701172
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896049

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine (CID 96635679) is [1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine is Cc1n[nH]nc1C1(CN)CC1.
What is the InChIKey of [1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine?
The InChIKey is TVMMDAUJSBZUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-6(10-11-9-5)7(4-8)2-3-7/h2-4,8H2,1H3,(H,9,10,11).
What are the key properties of [1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine?
[1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine has a molecular weight of 152.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 96635679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).