N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine

C17H16N6 — CID 154745786

IUPACN-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2ccccc2)nc1NCc1cccc2nccn12
InChIInChI=1S/C17H16N6/c1-22-17(20-16(21-22)13-6-3-2-4-7-13)19-12-14-8-5-9-15-18-10-11-23(14)15/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyNTDDMYXIZIRZQN-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.74
Rot. Bonds4

About N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine

N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine (PubChem CID 154745786) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine
PubChem CID154745786
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC NameN-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2ccccc2)nc1NCc1cccc2nccn12
InChIInChI=1S/C17H16N6/c1-22-17(20-16(21-22)13-6-3-2-4-7-13)19-12-14-8-5-9-15-18-10-11-23(14)15/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyNTDDMYXIZIRZQN-UHFFFAOYSA-N
XLogP2.74
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine (CID 154745786) is N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine is Cn1nc(-c2ccccc2)nc1NCc1cccc2nccn12.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine?
The InChIKey is NTDDMYXIZIRZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-22-17(20-16(21-22)13-6-3-2-4-7-13)19-12-14-8-5-9-15-18-10-11-23(14)15/h2-11H,12H2,1H3,(H,19,20,21).
What are the key properties of N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine?
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine has a molecular weight of 304.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 154745786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).