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

C15H20N6 — CID 22493265

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
SMILESCCCn1ncnc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C15H20N6/c1-2-9-21-15(19-11-20-21)12-5-3-4-6-13(12)18-10-14-16-7-8-17-14/h3-6,11,18H,2,7-10H2,1H3,(H,16,17)
InChIKeyINARLERZKDBYDJ-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.77
Rot. Bonds6

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

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline (PubChem CID 22493265) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
PubChem CID22493265
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
SMILESCCCn1ncnc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C15H20N6/c1-2-9-21-15(19-11-20-21)12-5-3-4-6-13(12)18-10-14-16-7-8-17-14/h3-6,11,18H,2,7-10H2,1H3,(H,16,17)
InChIKeyINARLERZKDBYDJ-UHFFFAOYSA-N
XLogP1.77
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.77
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-propyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline (CID 22493265) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline is CCCn1ncnc1-c1ccccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is INARLERZKDBYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-2-9-21-15(19-11-20-21)12-5-3-4-6-13(12)18-10-14-16-7-8-17-14/h3-6,11,18H,2,7-10H2,1H3,(H,16,17).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 284.37 g/mol, XLogP of 1.77, 6 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-propyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 22493265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).