1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

C14H16N6 — CID 86808575

IUPAC1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H16N6/c1-11-13(9-18-19-11)8-16-6-12-2-3-14(17-7-12)20-5-4-15-10-20/h2-5,7,9-10,16H,6,8H2,1H3,(H,18,19)
InChIKeyLGZGUOTUVUSZNN-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.59
Rot. Bonds5

About 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 86808575) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID86808575
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H16N6/c1-11-13(9-18-19-11)8-16-6-12-2-3-14(17-7-12)20-5-4-15-10-20/h2-5,7,9-10,16H,6,8H2,1H3,(H,18,19)
InChIKeyLGZGUOTUVUSZNN-UHFFFAOYSA-N
XLogP1.59
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 86808575) is 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1[nH]ncc1CNCc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is LGZGUOTUVUSZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-11-13(9-18-19-11)8-16-6-12-2-3-14(17-7-12)20-5-4-15-10-20/h2-5,7,9-10,16H,6,8H2,1H3,(H,18,19).
What are the key properties of 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 86808575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).