N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide

C19H21N5O2 — CID 110211580

IUPACN-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc3nc([C@H](C)NC(=O)C4CC4C)nn3cn2)cc1
InChIInChI=1S/C19H21N5O2/c1-11-8-15(11)19(25)21-12(2)18-22-17-9-16(20-10-24(17)23-18)13-4-6-14(26-3)7-5-13/h4-7,9-12,15H,8H2,1-3H3,(H,21,25)/t11?,12-,15?/m0/s1
InChIKeyIKMBKNRNCFTTFD-AVERBVTBSA-N
MW351.41 g/mol
LogP2.63
Rot. Bonds5

About N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide

N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 110211580) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID110211580
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc3nc([C@H](C)NC(=O)C4CC4C)nn3cn2)cc1
InChIInChI=1S/C19H21N5O2/c1-11-8-15(11)19(25)21-12(2)18-22-17-9-16(20-10-24(17)23-18)13-4-6-14(26-3)7-5-13/h4-7,9-12,15H,8H2,1-3H3,(H,21,25)/t11?,12-,15?/m0/s1
InChIKeyIKMBKNRNCFTTFD-AVERBVTBSA-N
XLogP2.63
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide (CID 110211580) is N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide is COc1ccc(-c2cc3nc([C@H](C)NC(=O)C4CC4C)nn3cn2)cc1.
What is the InChIKey of N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is IKMBKNRNCFTTFD-AVERBVTBSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11-8-15(11)19(25)21-12(2)18-22-17-9-16(20-10-24(17)23-18)13-4-6-14(26-3)7-5-13/h4-7,9-12,15H,8H2,1-3H3,(H,21,25)/t11?,12-,15?/m0/s1.
What are the key properties of N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 110211580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).