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

C7H12N4 — CID 66025326

IUPAC1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
SMILESCn1ncnc1CC1(N)CC1
InChIInChI=1S/C7H12N4/c1-11-6(9-5-10-11)4-7(8)2-3-7/h5H,2-4,8H2,1H3
InChIKeyQZNYSRYDUKFAKK-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.15
Rot. Bonds2

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

1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine (PubChem CID 66025326) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
PubChem CID66025326
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
SMILESCn1ncnc1CC1(N)CC1
InChIInChI=1S/C7H12N4/c1-11-6(9-5-10-11)4-7(8)2-3-7/h5H,2-4,8H2,1H3
InChIKeyQZNYSRYDUKFAKK-UHFFFAOYSA-N
XLogP-0.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 80705359
4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112562313
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
CID 66025203
5-[[4-(bromomethyl)oxan-4-yl]methyl]-1-methyl-1,2,4-triazole
CID 66049521
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol
CID 114535692
1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997606
1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
CID 79452651
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278
3-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothiolane-3-carboxylic acid
CID 115337954
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propylazepane
CID 79119255
N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 106813197

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine (CID 66025326) is 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine is Cn1ncnc1CC1(N)CC1.
What is the InChIKey of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
The InChIKey is QZNYSRYDUKFAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-11-6(9-5-10-11)4-7(8)2-3-7/h5H,2-4,8H2,1H3.
What are the key properties of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine has a molecular weight of 152.20 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 66025326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).