4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine

C19H24N8 — CID 72914185

IUPAC4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)ncn1
InChIInChI=1S/C19H24N8/c1-14-10-17(22-12-21-14)26-7-4-15(5-8-26)19-24-23-18(27(19)16-2-3-16)11-25-9-6-20-13-25/h6,9-10,12-13,15-16H,2-5,7-8,11H2,1H3
InChIKeySVVONIGBLBPKLX-UHFFFAOYSA-N
MW364.46 g/mol
LogP2.34
Rot. Bonds5

About 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine

4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine (PubChem CID 72914185) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine
PubChem CID72914185
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)ncn1
InChIInChI=1S/C19H24N8/c1-14-10-17(22-12-21-14)26-7-4-15(5-8-26)19-24-23-18(27(19)16-2-3-16)11-25-9-6-20-13-25/h6,9-10,12-13,15-16H,2-5,7-8,11H2,1H3
InChIKeySVVONIGBLBPKLX-UHFFFAOYSA-N
XLogP2.34
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine with MolForge

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Related Compounds

4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 72910549
2-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-fluoropyridine
CID 72868380
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylsulfonylpiperidine
CID 72868615
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2,2-dimethylpropyl)piperidine
CID 72912276
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 72890876
4-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 72879860
6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 70775845
propan-2-yl 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 72846818
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 72885815
4-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-5,6-dimethylpyrimidine
CID 72848536
[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 72850320
6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911568

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine (CID 72914185) is 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine is Cc1cc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)ncn1.
What is the InChIKey of 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine?
The InChIKey is SVVONIGBLBPKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-14-10-17(22-12-21-14)26-7-4-15(5-8-26)19-24-23-18(27(19)16-2-3-16)11-25-9-6-20-13-25/h6,9-10,12-13,15-16H,2-5,7-8,11H2,1H3.
What are the key properties of 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine?
4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine has a molecular weight of 364.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 72914185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).