N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline

C15H20N4 — CID 62071913

IUPACN-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESc1ncn(Cc2ccc(NCC3CCCC3)cc2)n1
InChIInChI=1S/C15H20N4/c1-2-4-13(3-1)9-17-15-7-5-14(6-8-15)10-19-12-16-11-18-19/h5-8,11-13,17H,1-4,9-10H2
InChIKeyMRRUBGTWXOAKKY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.93
Rot. Bonds5

About N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline

N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 62071913) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID62071913
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESc1ncn(Cc2ccc(NCC3CCCC3)cc2)n1
InChIInChI=1S/C15H20N4/c1-2-4-13(3-1)9-17-15-7-5-14(6-8-15)10-19-12-16-11-18-19/h5-8,11-13,17H,1-4,9-10H2
InChIKeyMRRUBGTWXOAKKY-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 82834065
N-(cyclopropylmethyl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 54866198
2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 86928588
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
N-[(4-methylphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673355
N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64761194
N-[(5-methylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673373
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43673429
N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64917969
1,1-dioxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thian-4-amine
CID 43673426
(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 103813532

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline (CID 62071913) is N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline is c1ncn(Cc2ccc(NCC3CCCC3)cc2)n1.
What is the InChIKey of N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is MRRUBGTWXOAKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-4-13(3-1)9-17-15-7-5-14(6-8-15)10-19-12-16-11-18-19/h5-8,11-13,17H,1-4,9-10H2.
What are the key properties of N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline has a molecular weight of 256.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 62071913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).