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

C13H18N6 — CID 106780015

IUPAC4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)n1ncnc1Cc1ncnc2c1CNCC2
InChIInChI=1S/C13H18N6/c1-9(2)19-13(17-8-18-19)5-12-10-6-14-4-3-11(10)15-7-16-12/h7-9,14H,3-6H2,1-2H3
InChIKeyCWIZXMSRYUXODD-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.89
Rot. Bonds3

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

4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 106780015) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID106780015
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)n1ncnc1Cc1ncnc2c1CNCC2
InChIInChI=1S/C13H18N6/c1-9(2)19-13(17-8-18-19)5-12-10-6-14-4-3-11(10)15-7-16-12/h7-9,14H,3-6H2,1-2H3
InChIKeyCWIZXMSRYUXODD-UHFFFAOYSA-N
XLogP0.89
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 102612202
4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106781374
4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106778698
N-methyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]azepan-4-amine
CID 107173415
ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate
CID 56777005
N-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223373
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223294
N-(2-methylpropyl)-N-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223378
4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 112563844
4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222865
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568448

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 106780015) is 4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC(C)n1ncnc1Cc1ncnc2c1CNCC2.
What is the InChIKey of 4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is CWIZXMSRYUXODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9(2)19-13(17-8-18-19)5-12-10-6-14-4-3-11(10)15-7-16-12/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 258.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 106780015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).