N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine

C11H14N4 — CID 62761606

IUPACN-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCc2cnc[nH]2)n1
InChIInChI=1S/C11H14N4/c1-9-3-2-4-10(15-9)5-12-6-11-7-13-8-14-11/h2-4,7-8,12H,5-6H2,1H3,(H,13,14)
InChIKeyXSUOPZZMXPSOHA-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.40
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine

N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 62761606) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID62761606
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCc2cnc[nH]2)n1
InChIInChI=1S/C11H14N4/c1-9-3-2-4-10(15-9)5-12-6-11-7-13-8-14-11/h2-4,7-8,12H,5-6H2,1H3,(H,13,14)
InChIKeyXSUOPZZMXPSOHA-UHFFFAOYSA-N
XLogP1.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine (CID 62761606) is N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine is Cc1cccc(CNCc2cnc[nH]2)n1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is XSUOPZZMXPSOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-3-2-4-10(15-9)5-12-6-11-7-13-8-14-11/h2-4,7-8,12H,5-6H2,1H3,(H,13,14).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine?
N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 62761606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).