1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine

C13H17N5 — CID 170981447

IUPAC1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine
SMILESCc1nc(-c2ncc[nH]2)ccc1N1CCNCC1
InChIInChI=1S/C13H17N5/c1-10-12(18-8-6-14-7-9-18)3-2-11(17-10)13-15-4-5-16-13/h2-5,14H,6-9H2,1H3,(H,15,16)
InChIKeyKHYGZWMCFQGQEA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.19
Rot. Bonds2

About 1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine

1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine (PubChem CID 170981447) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine
PubChem CID170981447
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine
SMILESCc1nc(-c2ncc[nH]2)ccc1N1CCNCC1
InChIInChI=1S/C13H17N5/c1-10-12(18-8-6-14-7-9-18)3-2-11(17-10)13-15-4-5-16-13/h2-5,14H,6-9H2,1H3,(H,15,16)
InChIKeyKHYGZWMCFQGQEA-UHFFFAOYSA-N
XLogP1.19
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine?
The IUPAC name of 1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine (CID 170981447) is 1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine is Cc1nc(-c2ncc[nH]2)ccc1N1CCNCC1.
What is the InChIKey of 1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine?
The InChIKey is KHYGZWMCFQGQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-10-12(18-8-6-14-7-9-18)3-2-11(17-10)13-15-4-5-16-13/h2-5,14H,6-9H2,1H3,(H,15,16).
What are the key properties of 1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine?
1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine has a molecular weight of 243.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine is sourced from PubChem (CID 170981447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).