7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C11H15N7 — CID 164641831

IUPAC7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESC[C@@H](c1nnnn1C)N1CCc2cncnc2C1
InChIInChI=1S/C11H15N7/c1-8(11-14-15-16-17(11)2)18-4-3-9-5-12-7-13-10(9)6-18/h5,7-8H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyKTIXPEBXKKXCMF-QMMMGPOBSA-N
MW245.29 g/mol
LogP0.12
Rot. Bonds2

About 7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 164641831) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is 7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID164641831
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESC[C@@H](c1nnnn1C)N1CCc2cncnc2C1
InChIInChI=1S/C11H15N7/c1-8(11-14-15-16-17(11)2)18-4-3-9-5-12-7-13-10(9)6-18/h5,7-8H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyKTIXPEBXKKXCMF-QMMMGPOBSA-N
XLogP0.12
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine
CID 54592578
2-ethyl-7-[(5-methylpyrazin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53621305
N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 91777622
2-ethyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine
CID 54592647
2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913382
5-fluoro-2-{4-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}pyrimidine
CID 50972624
2-cyclopropyl-4-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-1H-1,2,4-triazol-5-yl]pyrimidine
CID 72935193
7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930406
7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 59539575
7-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 117633291
7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 123230977
2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910149

Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 164641831) is 7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is C[C@@H](c1nnnn1C)N1CCc2cncnc2C1.
What is the InChIKey of 7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is KTIXPEBXKKXCMF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N7/c1-8(11-14-15-16-17(11)2)18-4-3-9-5-12-7-13-10(9)6-18/h5,7-8H,3-4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of 7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 245.29 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 164641831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).