(6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

C16H17N9O2 — CID 90626687

IUPAC(6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)nn1
InChIInChI=1S/C16H17N9O2/c1-27-15-3-2-12(21-22-15)16(26)24-6-4-23(5-7-24)13-8-14(19-10-18-13)25-11-17-9-20-25/h2-3,8-11H,4-7H2,1H3
InChIKeyVMMJICCNJUYGQD-UHFFFAOYSA-N
MW367.37 g/mol
LogP-0.18
Rot. Bonds4

About (6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

(6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 90626687) has the molecular formula C16H17N9O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID90626687
Molecular FormulaC16H17N9O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name(6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)nn1
InChIInChI=1S/C16H17N9O2/c1-27-15-3-2-12(21-22-15)16(26)24-6-4-23(5-7-24)13-8-14(19-10-18-13)25-11-17-9-20-25/h2-3,8-11H,4-7H2,1H3
InChIKeyVMMJICCNJUYGQD-UHFFFAOYSA-N
XLogP-0.18
TPSA115.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

(6-ethoxy-3-pyridinyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626676
[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 90626680
(2-fluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626449
1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626672
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626568
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626649
(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626469
(4-methoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145829
2-(3,4-dimethylphenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90626537
(4-pyrrolidin-1-ylsulfonylphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626483
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
(2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145831

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 90626687) is (6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is VMMJICCNJUYGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9O2/c1-27-15-3-2-12(21-22-15)16(26)24-6-4-23(5-7-24)13-8-14(19-10-18-13)25-11-17-9-20-25/h2-3,8-11H,4-7H2,1H3.
What are the key properties of (6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 367.37 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 90626687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).