2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole

C20H20N4 — CID 59216233

IUPAC2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole
SMILESCn1c(N2Cc3ccccc3C2)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C20H20N4/c1-23-18(20(11-12-20)17-9-3-2-4-10-17)21-22-19(23)24-13-15-7-5-6-8-16(15)14-24/h2-10H,11-14H2,1H3
InChIKeyCNUYVFUXYXNKJT-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.42
Rot. Bonds3

About 2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole

2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole (PubChem CID 59216233) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole
PubChem CID59216233
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole
SMILESCn1c(N2Cc3ccccc3C2)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C20H20N4/c1-23-18(20(11-12-20)17-9-3-2-4-10-17)21-22-19(23)24-13-15-7-5-6-8-16(15)14-24/h2-10H,11-14H2,1H3
InChIKeyCNUYVFUXYXNKJT-UHFFFAOYSA-N
XLogP3.42
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine
CID 59216169
1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine
CID 59216048
1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine
CID 59216145
4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
CID 59216026
methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride
CID 162308852
N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 59216089
tert-butyl N-methyl-N-[1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-yl]carbamate
CID 59216150
3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine
CID 59216113
3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine
CID 59216151
4-methyl-3-(1-phenylcyclopropyl)-1H-1,2,4-triazole-5-thione
CID 115389472
3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole
CID 59216153
3-(2-chloro-4-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole;hydrochloride
CID 162314574

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole?
The IUPAC name of 2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole (CID 59216233) is 2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole is Cn1c(N2Cc3ccccc3C2)nnc1C1(c2ccccc2)CC1.
What is the InChIKey of 2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole?
The InChIKey is CNUYVFUXYXNKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-23-18(20(11-12-20)17-9-3-2-4-10-17)21-22-19(23)24-13-15-7-5-6-8-16(15)14-24/h2-10H,11-14H2,1H3.
What are the key properties of 2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole?
2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole has a molecular weight of 316.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole is sourced from PubChem (CID 59216233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).