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

C15H20N4 — CID 55072882

IUPACN-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1nc(C)n(Cc2ccccc2CNC2CC2)n1
InChIInChI=1S/C15H20N4/c1-11-17-12(2)19(18-11)10-14-6-4-3-5-13(14)9-16-15-7-8-15/h3-6,15-16H,7-10H2,1-2H3
InChIKeyVMGXXNXQLIHXHP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.20
Rot. Bonds5

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

N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 55072882) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID55072882
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1nc(C)n(Cc2ccccc2CNC2CC2)n1
InChIInChI=1S/C15H20N4/c1-11-17-12(2)19(18-11)10-14-6-4-3-5-13(14)9-16-15-7-8-15/h3-6,15-16H,7-10H2,1-2H3
InChIKeyVMGXXNXQLIHXHP-UHFFFAOYSA-N
XLogP2.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]propyl]cyclopropanamine
CID 105348487
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 62130836
N-[[2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 61348078
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807198
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 82694815
4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine
CID 66401134
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
N-[[1-methyl-3-(2-methylphenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485385

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine (CID 55072882) is N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine is Cc1nc(C)n(Cc2ccccc2CNC2CC2)n1.
What is the InChIKey of N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is VMGXXNXQLIHXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-17-12(2)19(18-11)10-14-6-4-3-5-13(14)9-16-15-7-8-15/h3-6,15-16H,7-10H2,1-2H3.
What are the key properties of N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 256.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 55072882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).