N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C21H26N6O — CID 133441701

IUPACN-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCN(C3CC3)C2c2cccc(OC)c2)n2ncnc2n1
InChIInChI=1S/C21H26N6O/c1-3-15-12-19(27-21(24-15)22-13-23-27)25-18-9-10-26(16-7-8-16)20(18)14-5-4-6-17(11-14)28-2/h4-6,11-13,16,18,20,25H,3,7-10H2,1-2H3
InChIKeyDWCWKDXUJBWSLA-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.09
Rot. Bonds6

About N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133441701) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133441701
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCN(C3CC3)C2c2cccc(OC)c2)n2ncnc2n1
InChIInChI=1S/C21H26N6O/c1-3-15-12-19(27-21(24-15)22-13-23-27)25-18-9-10-26(16-7-8-16)20(18)14-5-4-6-17(11-14)28-2/h4-6,11-13,16,18,20,25H,3,7-10H2,1-2H3
InChIKeyDWCWKDXUJBWSLA-UHFFFAOYSA-N
XLogP3.09
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 98876721
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 75499007
N-[(2R,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 166408983
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide
CID 120705840
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133441735
(2S,3S)-1-cyclopropyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-methoxyphenyl)pyrrolidin-3-amine
CID 124852869
5-chloro-6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 133441669
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243
5-ethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133365586
1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one
CID 133338490
N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133306577
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133364796

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133441701) is N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC2CCN(C3CC3)C2c2cccc(OC)c2)n2ncnc2n1.
What is the InChIKey of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DWCWKDXUJBWSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-3-15-12-19(27-21(24-15)22-13-23-27)25-18-9-10-26(16-7-8-16)20(18)14-5-4-6-17(11-14)28-2/h4-6,11-13,16,18,20,25H,3,7-10H2,1-2H3.
What are the key properties of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 378.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133441701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).