3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine

C21H24FN5O — CID 118108148

IUPAC3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOc1cccc(F)c1C1CCN(c2cc3nnc(CC4CC4)n3cn2)CC1
InChIInChI=1S/C21H24FN5O/c1-28-17-4-2-3-16(22)21(17)15-7-9-26(10-8-15)18-12-20-25-24-19(11-14-5-6-14)27(20)13-23-18/h2-4,12-15H,5-11H2,1H3
InChIKeyVTRCZLXTRWDFLU-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.61
Rot. Bonds5

About 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine

3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 118108148) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID118108148
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOc1cccc(F)c1C1CCN(c2cc3nnc(CC4CC4)n3cn2)CC1
InChIInChI=1S/C21H24FN5O/c1-28-17-4-2-3-16(22)21(17)15-7-9-26(10-8-15)18-12-20-25-24-19(11-14-5-6-14)27(20)13-23-18/h2-4,12-15H,5-11H2,1H3
InChIKeyVTRCZLXTRWDFLU-UHFFFAOYSA-N
XLogP3.61
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine (CID 118108148) is 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine is COc1cccc(F)c1C1CCN(c2cc3nnc(CC4CC4)n3cn2)CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is VTRCZLXTRWDFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-28-17-4-2-3-16(22)21(17)15-7-9-26(10-8-15)18-12-20-25-24-19(11-14-5-6-14)27(20)13-23-18/h2-4,12-15H,5-11H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine?
3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 381.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 118108148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).