N-(1H-imidazol-5-ylmethyl)pyridin-2-amine

C9H10N4 — CID 65439896

IUPACN-(1H-imidazol-5-ylmethyl)pyridin-2-amine
SMILESc1ccc(NCc2cnc[nH]2)nc1
InChIInChI=1S/C9H10N4/c1-2-4-11-9(3-1)12-6-8-5-10-7-13-8/h1-5,7H,6H2,(H,10,13)(H,11,12)
InChIKeySRMJAJJLFIVMGU-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.42
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)pyridin-2-amine

N-(1H-imidazol-5-ylmethyl)pyridin-2-amine (PubChem CID 65439896) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)pyridin-2-amine
PubChem CID65439896
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC NameN-(1H-imidazol-5-ylmethyl)pyridin-2-amine
SMILESc1ccc(NCc2cnc[nH]2)nc1
InChIInChI=1S/C9H10N4/c1-2-4-11-9(3-1)12-6-8-5-10-7-13-8/h1-5,7H,6H2,(H,10,13)(H,11,12)
InChIKeySRMJAJJLFIVMGU-UHFFFAOYSA-N
XLogP1.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.42
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)pyridin-2-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)pyridin-2-amine (CID 65439896) is N-(1H-imidazol-5-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)pyridin-2-amine is c1ccc(NCc2cnc[nH]2)nc1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)pyridin-2-amine?
The InChIKey is SRMJAJJLFIVMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-4-11-9(3-1)12-6-8-5-10-7-13-8/h1-5,7H,6H2,(H,10,13)(H,11,12).
What are the key properties of N-(1H-imidazol-5-ylmethyl)pyridin-2-amine?
N-(1H-imidazol-5-ylmethyl)pyridin-2-amine has a molecular weight of 174.21 g/mol, XLogP of 1.42, 3 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)pyridin-2-amine is sourced from PubChem (CID 65439896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).