N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline

C18H18N6 — CID 99595109

IUPACN-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCc1ccn2c(CNc3ccccc3Cn3cncn3)cnc2c1
InChIInChI=1S/C18H18N6/c1-14-6-7-24-16(10-21-18(24)8-14)9-20-17-5-3-2-4-15(17)11-23-13-19-12-22-23/h2-8,10,12-13,20H,9,11H2,1H3
InChIKeyFAKLHVRWJVPPNN-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.89
Rot. Bonds5

About N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline

N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 99595109) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID99595109
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC NameN-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCc1ccn2c(CNc3ccccc3Cn3cncn3)cnc2c1
InChIInChI=1S/C18H18N6/c1-14-6-7-24-16(10-21-18(24)8-14)9-20-17-5-3-2-4-15(17)11-23-13-19-12-22-23/h2-8,10,12-13,20H,9,11H2,1H3
InChIKeyFAKLHVRWJVPPNN-UHFFFAOYSA-N
XLogP2.89
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline (CID 99595109) is N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline is Cc1ccn2c(CNc3ccccc3Cn3cncn3)cnc2c1.
What is the InChIKey of N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is FAKLHVRWJVPPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-14-6-7-24-16(10-21-18(24)8-14)9-20-17-5-3-2-4-15(17)11-23-13-19-12-22-23/h2-8,10,12-13,20H,9,11H2,1H3.
What are the key properties of N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline?
N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline has a molecular weight of 318.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 99595109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).