2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine

C17H19N7 — CID 126468199

IUPAC2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1nccc(CN2CCCC2c2nc(-c3cccnc3)n[nH]2)n1
InChIInChI=1S/C17H19N7/c1-12-19-8-6-14(20-12)11-24-9-3-5-15(24)17-21-16(22-23-17)13-4-2-7-18-10-13/h2,4,6-8,10,15H,3,5,9,11H2,1H3,(H,21,22,23)
InChIKeyFXOKASDLGQZKPN-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.30
Rot. Bonds4

About 2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine

2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine (PubChem CID 126468199) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
PubChem CID126468199
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1nccc(CN2CCCC2c2nc(-c3cccnc3)n[nH]2)n1
InChIInChI=1S/C17H19N7/c1-12-19-8-6-14(20-12)11-24-9-3-5-15(24)17-21-16(22-23-17)13-4-2-7-18-10-13/h2,4,6-8,10,15H,3,5,9,11H2,1H3,(H,21,22,23)
InChIKeyFXOKASDLGQZKPN-UHFFFAOYSA-N
XLogP2.30
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine with MolForge

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Related Compounds

2-[[(2S)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyridine
CID 91653815
4-[[(2S)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyridine
CID 91653959
5-[(2S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1H-1,2,4-triazole
CID 91653818
2-phenoxy-1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 68687362
N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide
CID 51587467
3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 53192076
3-[5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-3-yl]pyridine;dihydrochloride
CID 146064513
3-[[(2S)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 124568419
3-[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 110244523
3-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 124992533
3-[5-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 53192083
3-[5-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 53192073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine (CID 126468199) is 2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine is Cc1nccc(CN2CCCC2c2nc(-c3cccnc3)n[nH]2)n1.
What is the InChIKey of 2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The InChIKey is FXOKASDLGQZKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-12-19-8-6-14(20-12)11-24-9-3-5-15(24)17-21-16(22-23-17)13-4-2-7-18-10-13/h2,4,6-8,10,15H,3,5,9,11H2,1H3,(H,21,22,23).
What are the key properties of 2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine has a molecular weight of 321.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 126468199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).