(2-imidazol-1-yl-4-pyridinyl)methanamine

C9H10N4 — CID 16782615

IUPAC(2-imidazol-1-yl-4-pyridinyl)methanamine
SMILESNCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C9H10N4/c10-6-8-1-2-12-9(5-8)13-4-3-11-7-13/h1-5,7H,6,10H2
InChIKeyDQTSFNDKOUQLGP-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.73
Rot. Bonds2

About (2-imidazol-1-yl-4-pyridinyl)methanamine

(2-imidazol-1-yl-4-pyridinyl)methanamine (PubChem CID 16782615) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is (2-imidazol-1-yl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-imidazol-1-yl-4-pyridinyl)methanamine
PubChem CID16782615
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name(2-imidazol-1-yl-4-pyridinyl)methanamine
SMILESNCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C9H10N4/c10-6-8-1-2-12-9(5-8)13-4-3-11-7-13/h1-5,7H,6,10H2
InChIKeyDQTSFNDKOUQLGP-UHFFFAOYSA-N
XLogP0.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-yl-4-pyridinyl)methanamine?
The IUPAC name of (2-imidazol-1-yl-4-pyridinyl)methanamine (CID 16782615) is (2-imidazol-1-yl-4-pyridinyl)methanamine.
What is the SMILES notation for (2-imidazol-1-yl-4-pyridinyl)methanamine?
The canonical SMILES for (2-imidazol-1-yl-4-pyridinyl)methanamine is NCc1ccnc(-n2ccnc2)c1.
What is the InChIKey of (2-imidazol-1-yl-4-pyridinyl)methanamine?
The InChIKey is DQTSFNDKOUQLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-6-8-1-2-12-9(5-8)13-4-3-11-7-13/h1-5,7H,6,10H2.
What are the key properties of (2-imidazol-1-yl-4-pyridinyl)methanamine?
(2-imidazol-1-yl-4-pyridinyl)methanamine has a molecular weight of 174.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-yl-4-pyridinyl)methanamine is sourced from PubChem (CID 16782615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).