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

C17H24N4 — CID 105348487

IUPACN-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine
SMILESCc1nc(C)n(Cc2ccc(C(C)CNC3CC3)cc2)n1
InChIInChI=1S/C17H24N4/c1-12(10-18-17-8-9-17)16-6-4-15(5-7-16)11-21-14(3)19-13(2)20-21/h4-7,12,17-18H,8-11H2,1-3H3
InChIKeyBJFNOYKOIAKNAE-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.80
Rot. Bonds6

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

N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine (PubChem CID 105348487) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine
PubChem CID105348487
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine
SMILESCc1nc(C)n(Cc2ccc(C(C)CNC3CC3)cc2)n1
InChIInChI=1S/C17H24N4/c1-12(10-18-17-8-9-17)16-6-4-15(5-7-16)11-21-14(3)19-13(2)20-21/h4-7,12,17-18H,8-11H2,1-3H3
InChIKeyBJFNOYKOIAKNAE-UHFFFAOYSA-N
XLogP2.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55072882
N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine
CID 105348638
N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107456438
N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62017814
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
N-[2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347393
N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347466

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine (CID 105348487) is N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine is Cc1nc(C)n(Cc2ccc(C(C)CNC3CC3)cc2)n1.
What is the InChIKey of N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine?
The InChIKey is BJFNOYKOIAKNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(10-18-17-8-9-17)16-6-4-15(5-7-16)11-21-14(3)19-13(2)20-21/h4-7,12,17-18H,8-11H2,1-3H3.
What are the key properties of N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine?
N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine has a molecular weight of 284.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine is sourced from PubChem (CID 105348487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).