7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C19H21N7 — CID 96997339

IUPAC7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCn1c([C@H]2CCCN2c2cc(C)nc3ncnn23)nc2ccccc21
InChIInChI=1S/C19H21N7/c1-3-24-15-8-5-4-7-14(15)23-18(24)16-9-6-10-25(16)17-11-13(2)22-19-20-12-21-26(17)19/h4-5,7-8,11-12,16H,3,6,9-10H2,1-2H3/t16-/m1/s1
InChIKeyYDXDONFRETVVIW-MRXNPFEDSA-N
MW347.43 g/mol
LogP3.14
Rot. Bonds3

About 7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 96997339) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID96997339
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCn1c([C@H]2CCCN2c2cc(C)nc3ncnn23)nc2ccccc21
InChIInChI=1S/C19H21N7/c1-3-24-15-8-5-4-7-14(15)23-18(24)16-9-6-10-25(16)17-11-13(2)22-19-20-12-21-26(17)19/h4-5,7-8,11-12,16H,3,6,9-10H2,1-2H3/t16-/m1/s1
InChIKeyYDXDONFRETVVIW-MRXNPFEDSA-N
XLogP3.14
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71855460
(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol
CID 111970121
7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133445499
4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133472301
1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole
CID 71859415
3-(2,2-difluoroethyl)-2-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950371
7-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95764363
5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5302733
1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
CID 71974480
2-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 71974479
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 52851870
7-[2-(3-chloropropyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 63389962

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 96997339) is 7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCn1c([C@H]2CCCN2c2cc(C)nc3ncnn23)nc2ccccc21.
What is the InChIKey of 7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YDXDONFRETVVIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N7/c1-3-24-15-8-5-4-7-14(15)23-18(24)16-9-6-10-25(16)17-11-13(2)22-19-20-12-21-26(17)19/h4-5,7-8,11-12,16H,3,6,9-10H2,1-2H3/t16-/m1/s1.
What are the key properties of 7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 347.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 96997339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).