5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C14H17N7 — CID 136526216

IUPAC5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(c3cnn(C)c3)C2)n2ncnc2n1
InChIInChI=1S/C14H17N7/c1-10-5-13(21-14(18-10)15-9-17-21)20-4-3-11(8-20)12-6-16-19(2)7-12/h5-7,9,11H,3-4,8H2,1-2H3
InChIKeyCWCDKSYKRHHOBL-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.16
Rot. Bonds2

About 5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136526216) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136526216
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(c3cnn(C)c3)C2)n2ncnc2n1
InChIInChI=1S/C14H17N7/c1-10-5-13(21-14(18-10)15-9-17-21)20-4-3-11(8-20)12-6-16-19(2)7-12/h5-7,9,11H,3-4,8H2,1-2H3
InChIKeyCWCDKSYKRHHOBL-UHFFFAOYSA-N
XLogP1.16
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136526216) is 5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(c3cnn(C)c3)C2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CWCDKSYKRHHOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-10-5-13(21-14(18-10)15-9-17-21)20-4-3-11(8-20)12-6-16-19(2)7-12/h5-7,9,11H,3-4,8H2,1-2H3.
What are the key properties of 5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 283.34 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136526216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).