N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline

C15H16N6 — CID 66163753

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
SMILESc1ncn(-c2ccc(NCc3cncn3C3CC3)cc2)n1
InChIInChI=1S/C15H16N6/c1-3-14(21-11-17-9-19-21)4-2-12(1)18-8-15-7-16-10-20(15)13-5-6-13/h1-4,7,9-11,13,18H,5-6,8H2
InChIKeyCKOBCVMCRWAQEL-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.41
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline

N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline (PubChem CID 66163753) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
PubChem CID66163753
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
SMILESc1ncn(-c2ccc(NCc3cncn3C3CC3)cc2)n1
InChIInChI=1S/C15H16N6/c1-3-14(21-11-17-9-19-21)4-2-12(1)18-8-15-7-16-10-20(15)13-5-6-13/h1-4,7,9-11,13,18H,5-6,8H2
InChIKeyCKOBCVMCRWAQEL-UHFFFAOYSA-N
XLogP2.41
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-amine
CID 107588333
3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 66162069
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline
CID 66162533
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 66162070
6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine
CID 81266001
4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-fluoroaniline
CID 66162716
N-[(3-cyclopropylimidazol-4-yl)methyl]-1H-indazol-5-amine
CID 66164096
4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide
CID 66164704
N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline
CID 62762707
4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline
CID 107621334
2-chloro-4-[(3-cyclopropylimidazol-4-yl)methylamino]benzonitrile
CID 66164671
N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine
CID 60927914

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline (CID 66163753) is N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline is c1ncn(-c2ccc(NCc3cncn3C3CC3)cc2)n1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
The InChIKey is CKOBCVMCRWAQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-3-14(21-11-17-9-19-21)4-2-12(1)18-8-15-7-16-10-20(15)13-5-6-13/h1-4,7,9-11,13,18H,5-6,8H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline?
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline has a molecular weight of 280.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 66163753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).