N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine

C10H18N4 — CID 62720879

IUPACN-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(CNC2CC2)n(C)n1
InChIInChI=1S/C10H18N4/c1-7(2)10-12-9(14(3)13-10)6-11-8-4-5-8/h7-8,11H,4-6H2,1-3H3
InChIKeyBVAPVORHYAPVIH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.19
Rot. Bonds4

About N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine

N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine (PubChem CID 62720879) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
PubChem CID62720879
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(CNC2CC2)n(C)n1
InChIInChI=1S/C10H18N4/c1-7(2)10-12-9(14(3)13-10)6-11-8-4-5-8/h7-8,11H,4-6H2,1-3H3
InChIKeyBVAPVORHYAPVIH-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 62697401
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
CID 166380030
4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443123
N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride
CID 154912040
N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine
CID 131176759
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43569438
N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine
CID 117187124
N-[[1-(3-methylbutan-2-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737264
N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62282645
5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597063

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine (CID 62720879) is N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine is CC(C)c1nc(CNC2CC2)n(C)n1.
What is the InChIKey of N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
The InChIKey is BVAPVORHYAPVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)10-12-9(14(3)13-10)6-11-8-4-5-8/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine has a molecular weight of 194.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62720879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).