4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine

C15H19N9 — CID 163349499

IUPAC4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCn1ncnc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C15H19N9/c1-21-15(18-12-20-21)10-22-5-7-23(8-6-22)13-9-14(17-11-16-13)24-4-2-3-19-24/h2-4,9,11-12H,5-8,10H2,1H3
InChIKeyZHKVPDBJHYFFQC-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.11
Rot. Bonds4

About 4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine

4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine (PubChem CID 163349499) has the molecular formula C15H19N9 and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
PubChem CID163349499
Molecular FormulaC15H19N9
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCn1ncnc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C15H19N9/c1-21-15(18-12-20-21)10-22-5-7-23(8-6-22)13-9-14(17-11-16-13)24-4-2-3-19-24/h2-4,9,11-12H,5-8,10H2,1H3
InChIKeyZHKVPDBJHYFFQC-UHFFFAOYSA-N
XLogP0.11
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074558
2-[[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 154883251
1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
CID 154829998
2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 163345596
2-methyl-5-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 171995056
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154853650
2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 65416998
4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 165433573
1,2-oxazol-5-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337194
4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 163349088

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine (CID 163349499) is 4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine is Cn1ncnc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of 4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The InChIKey is ZHKVPDBJHYFFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N9/c1-21-15(18-12-20-21)10-22-5-7-23(8-6-22)13-9-14(17-11-16-13)24-4-2-3-19-24/h2-4,9,11-12H,5-8,10H2,1H3.
What are the key properties of 4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine has a molecular weight of 325.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 163349499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).