(1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide

C17H23N5O2 — CID 125441546

IUPAC(1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOc1ccc([C@@]2(C(=O)NCCc3nc(N)n[nH]3)CC2(C)C)cc1
InChIInChI=1S/C17H23N5O2/c1-16(2)10-17(16,11-4-6-12(24-3)7-5-11)14(23)19-9-8-13-20-15(18)22-21-13/h4-7H,8-10H2,1-3H3,(H,19,23)(H3,18,20,21,22)/t17-/m1/s1
InChIKeyMRUUPTZQTDZULO-QGZVFWFLSA-N
MW329.40 g/mol
LogP1.42
Rot. Bonds6

About (1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide

(1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 125441546) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID125441546
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOc1ccc([C@@]2(C(=O)NCCc3nc(N)n[nH]3)CC2(C)C)cc1
InChIInChI=1S/C17H23N5O2/c1-16(2)10-17(16,11-4-6-12(24-3)7-5-11)14(23)19-9-8-13-20-15(18)22-21-13/h4-7H,8-10H2,1-3H3,(H,19,23)(H3,18,20,21,22)/t17-/m1/s1
InChIKeyMRUUPTZQTDZULO-QGZVFWFLSA-N
XLogP1.42
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 125161826
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 122564633
1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 118769650
(1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 125171632
(1S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 99927183
N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 77087240
3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
CID 53090148
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide
CID 122560512
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 118783400
5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine
CID 125434909
1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide
CID 119319187

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 125441546) is (1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide is COc1ccc([C@@]2(C(=O)NCCc3nc(N)n[nH]3)CC2(C)C)cc1.
What is the InChIKey of (1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is MRUUPTZQTDZULO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-16(2)10-17(16,11-4-6-12(24-3)7-5-11)14(23)19-9-8-13-20-15(18)22-21-13/h4-7H,8-10H2,1-3H3,(H,19,23)(H3,18,20,21,22)/t17-/m1/s1.
What are the key properties of (1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
(1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 125441546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).