N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline

C15H18N6 — CID 66130925

IUPACN-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline
SMILESCC(C)n1cncc1CNc1ccc(-n2nccn2)cc1
InChIInChI=1S/C15H18N6/c1-12(2)20-11-16-9-15(20)10-17-13-3-5-14(6-4-13)21-18-7-8-19-21/h3-9,11-12,17H,10H2,1-2H3
InChIKeyZPCCZFGVEVNNKV-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.66
Rot. Bonds5

About N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline

N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline (PubChem CID 66130925) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline
PubChem CID66130925
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline
SMILESCC(C)n1cncc1CNc1ccc(-n2nccn2)cc1
InChIInChI=1S/C15H18N6/c1-12(2)20-11-16-9-15(20)10-17-13-3-5-14(6-4-13)21-18-7-8-19-21/h3-9,11-12,17H,10H2,1-2H3
InChIKeyZPCCZFGVEVNNKV-UHFFFAOYSA-N
XLogP2.66
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline?
The IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline (CID 66130925) is N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline?
The canonical SMILES for N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline is CC(C)n1cncc1CNc1ccc(-n2nccn2)cc1.
What is the InChIKey of N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline?
The InChIKey is ZPCCZFGVEVNNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-12(2)20-11-16-9-15(20)10-17-13-3-5-14(6-4-13)21-18-7-8-19-21/h3-9,11-12,17H,10H2,1-2H3.
What are the key properties of N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline?
N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline has a molecular weight of 282.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline is sourced from PubChem (CID 66130925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).