4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine

C16H17N7 — CID 126819355

IUPAC4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(c3ncn[nH]3)C2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H17N7/c1-11-8-14(21-16(20-11)13-4-2-3-6-17-13)23-7-5-12(9-23)15-18-10-19-22-15/h2-4,6,8,10,12H,5,7,9H2,1H3,(H,18,19,22)
InChIKeyNRUNRICKANKDPR-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.96
Rot. Bonds3

About 4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine

4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 126819355) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID126819355
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC Name4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(c3ncn[nH]3)C2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H17N7/c1-11-8-14(21-16(20-11)13-4-2-3-6-17-13)23-7-5-12(9-23)15-18-10-19-22-15/h2-4,6,8,10,12H,5,7,9H2,1H3,(H,18,19,22)
InChIKeyNRUNRICKANKDPR-UHFFFAOYSA-N
XLogP1.96
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine (CID 126819355) is 4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine is Cc1cc(N2CCC(c3ncn[nH]3)C2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is NRUNRICKANKDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c1-11-8-14(21-16(20-11)13-4-2-3-6-17-13)23-7-5-12(9-23)15-18-10-19-22-15/h2-4,6,8,10,12H,5,7,9H2,1H3,(H,18,19,22).
What are the key properties of 4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine?
4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 307.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 126819355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).