2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C11H13N5 — CID 114738324

IUPAC2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCn1cc(-c2ncc3c(n2)CCNC3)cn1
InChIInChI=1S/C11H13N5/c1-16-7-9(6-14-16)11-13-5-8-4-12-3-2-10(8)15-11/h5-7,12H,2-4H2,1H3
InChIKeyDKXXDGWRJUNFAT-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.52
Rot. Bonds1

About 2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738324) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738324
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCn1cc(-c2ncc3c(n2)CCNC3)cn1
InChIInChI=1S/C11H13N5/c1-16-7-9(6-14-16)11-13-5-8-4-12-3-2-10(8)15-11/h5-7,12H,2-4H2,1H3
InChIKeyDKXXDGWRJUNFAT-UHFFFAOYSA-N
XLogP0.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739119
2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738407
2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 15908773
4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid
CID 65197670
1-methyl-3-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 162753819
7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one
CID 62008080
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738447
4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
CID 155404865
N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351822
2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006280
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride
CID 170900386
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115039114

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738324) is 2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cn1cc(-c2ncc3c(n2)CCNC3)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is DKXXDGWRJUNFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-16-7-9(6-14-16)11-13-5-8-4-12-3-2-10(8)15-11/h5-7,12H,2-4H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 215.26 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).