N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine

C10H18N4 — CID 107447429

IUPACN-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
SMILESCC(C)(C)n1ncnc1CNC1CC1
InChIInChI=1S/C10H18N4/c1-10(2,3)14-9(12-7-13-14)6-11-8-4-5-8/h7-8,11H,4-6H2,1-3H3
InChIKeyZVGFEZUVGZLGFJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.29
Rot. Bonds3

About N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine

N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine (PubChem CID 107447429) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
PubChem CID107447429
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
SMILESCC(C)(C)n1ncnc1CNC1CC1
InChIInChI=1S/C10H18N4/c1-10(2,3)14-9(12-7-13-14)6-11-8-4-5-8/h7-8,11H,4-6H2,1-3H3
InChIKeyZVGFEZUVGZLGFJ-UHFFFAOYSA-N
XLogP1.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 107447431
N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447601
N-[[2-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447494
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114123294
N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447528
N-[3,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butyl]cyclopropanamine
CID 81023570
N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 106730595
N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 83159530
1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylguanidine
CID 120762427
2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 86778919
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 112591061
(2R,3S)-N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-phenylpyrrolidine-1-carboxamide
CID 124735885

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine (CID 107447429) is N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine is CC(C)(C)n1ncnc1CNC1CC1.
What is the InChIKey of N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
The InChIKey is ZVGFEZUVGZLGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2,3)14-9(12-7-13-14)6-11-8-4-5-8/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine has a molecular weight of 194.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 107447429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).