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

C15H20N4 — CID 64917969

IUPACN-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCCC(Nc1ccc(Cn2cncn2)cc1)C1CC1
InChIInChI=1S/C15H20N4/c1-2-15(13-5-6-13)18-14-7-3-12(4-8-14)9-19-11-16-10-17-19/h3-4,7-8,10-11,13,15,18H,2,5-6,9H2,1H3
InChIKeyFKWZWCVPFZSDNH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.93
Rot. Bonds6

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

N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 64917969) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID64917969
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCCC(Nc1ccc(Cn2cncn2)cc1)C1CC1
InChIInChI=1S/C15H20N4/c1-2-15(13-5-6-13)18-14-7-3-12(4-8-14)9-19-11-16-10-17-19/h3-4,7-8,10-11,13,15,18H,2,5-6,9H2,1H3
InChIKeyFKWZWCVPFZSDNH-UHFFFAOYSA-N
XLogP2.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 64917769
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
N-(3-methoxybutan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 115928776
4-(1-cyclopropylpropylamino)phenol
CID 64918837
N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64761194
N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 62071913
2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile
CID 64919481
N-(1-cyclopropylpropyl)-4-fluoroaniline
CID 64918794
N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 82834065
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43673429
1,1-dioxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thian-4-amine
CID 43673426

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline (CID 64917969) is N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline is CCC(Nc1ccc(Cn2cncn2)cc1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is FKWZWCVPFZSDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-15(13-5-6-13)18-14-7-3-12(4-8-14)9-19-11-16-10-17-19/h3-4,7-8,10-11,13,15,18H,2,5-6,9H2,1H3.
What are the key properties of N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline has a molecular weight of 256.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 64917969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).