N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline

C14H18N6 — CID 22493225

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
SMILESCc1nc(-c2ccccc2NCC2=NCCN2)n(C)n1
InChIInChI=1S/C14H18N6/c1-10-18-14(20(2)19-10)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyQHTWLQHVCYOHJB-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.20
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline (PubChem CID 22493225) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
PubChem CID22493225
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
SMILESCc1nc(-c2ccccc2NCC2=NCCN2)n(C)n1
InChIInChI=1S/C14H18N6/c1-10-18-14(20(2)19-10)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyQHTWLQHVCYOHJB-UHFFFAOYSA-N
XLogP1.20
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline (CID 22493225) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline is Cc1nc(-c2ccccc2NCC2=NCCN2)n(C)n1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is QHTWLQHVCYOHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-10-18-14(20(2)19-10)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 270.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 22493225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).