N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide

C17H19N7O2 — CID 71708029

IUPACN-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCOCc1nc(-c2cccc(NC(=O)CCNc3ncccn3)c2)n[nH]1
InChIInChI=1S/C17H19N7O2/c1-26-11-14-22-16(24-23-14)12-4-2-5-13(10-12)21-15(25)6-9-20-17-18-7-3-8-19-17/h2-5,7-8,10H,6,9,11H2,1H3,(H,21,25)(H,18,19,20)(H,22,23,24)
InChIKeyOZLZGXJHLWIBBS-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.85
Rot. Bonds8

About N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide

N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 71708029) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide
PubChem CID71708029
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCOCc1nc(-c2cccc(NC(=O)CCNc3ncccn3)c2)n[nH]1
InChIInChI=1S/C17H19N7O2/c1-26-11-14-22-16(24-23-14)12-4-2-5-13(10-12)21-15(25)6-9-20-17-18-7-3-8-19-17/h2-5,7-8,10H,6,9,11H2,1H3,(H,21,25)(H,18,19,20)(H,22,23,24)
InChIKeyOZLZGXJHLWIBBS-UHFFFAOYSA-N
XLogP1.85
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate
CID 47916523
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide
CID 91638996
(3S)-N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434169
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 91822355
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide
CID 71709227
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60928392
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
dimethyl (E)-2-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)anilino]but-2-enedioate
CID 168569780
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
CID 60552910
4-chloro-N-[3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]benzamide
CID 55825029
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide (CID 71708029) is N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide is COCc1nc(-c2cccc(NC(=O)CCNc3ncccn3)c2)n[nH]1.
What is the InChIKey of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is OZLZGXJHLWIBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-26-11-14-22-16(24-23-14)12-4-2-5-13(10-12)21-15(25)6-9-20-17-18-7-3-8-19-17/h2-5,7-8,10H,6,9,11H2,1H3,(H,21,25)(H,18,19,20)(H,22,23,24).
What are the key properties of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide?
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 353.39 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 71708029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).