7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C14H15N7 — CID 136839591

IUPAC7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCn1cc(C2CCNc3nc(-c4ccccn4)nn32)cn1
InChIInChI=1S/C14H15N7/c1-20-9-10(8-17-20)12-5-7-16-14-18-13(19-21(12)14)11-4-2-3-6-15-11/h2-4,6,8-9,12H,5,7H2,1H3,(H,16,18,19)
InChIKeyNFCAXFFZRSPRQW-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.48
Rot. Bonds2

About 7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136839591) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136839591
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCn1cc(C2CCNc3nc(-c4ccccn4)nn32)cn1
InChIInChI=1S/C14H15N7/c1-20-9-10(8-17-20)12-5-7-16-14-18-13(19-21(12)14)11-4-2-3-6-15-11/h2-4,6,8-9,12H,5,7H2,1H3,(H,16,18,19)
InChIKeyNFCAXFFZRSPRQW-UHFFFAOYSA-N
XLogP1.48
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136839591) is 7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cn1cc(C2CCNc3nc(-c4ccccn4)nn32)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NFCAXFFZRSPRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-20-9-10(8-17-20)12-5-7-16-14-18-13(19-21(12)14)11-4-2-3-6-15-11/h2-4,6,8-9,12H,5,7H2,1H3,(H,16,18,19).
What are the key properties of 7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 281.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).