[(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol

C18H21N7O — CID 58976657

IUPAC[(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESNc1nc(Nc2ccccc2)nn1-c1ccnc(N2CCC[C@@H]2CO)c1
InChIInChI=1S/C18H21N7O/c19-17-22-18(21-13-5-2-1-3-6-13)23-25(17)14-8-9-20-16(11-14)24-10-4-7-15(24)12-26/h1-3,5-6,8-9,11,15,26H,4,7,10,12H2,(H3,19,21,22,23)/t15-/m1/s1
InChIKeyDMFQZDHXNSGHPL-OAHLLOKOSA-N
MW351.41 g/mol
LogP1.95
Rot. Bonds5

About [(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol

[(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 58976657) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is [(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
PubChem CID58976657
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name[(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESNc1nc(Nc2ccccc2)nn1-c1ccnc(N2CCC[C@@H]2CO)c1
InChIInChI=1S/C18H21N7O/c19-17-22-18(21-13-5-2-1-3-6-13)23-25(17)14-8-9-20-16(11-14)24-10-4-7-15(24)12-26/h1-3,5-6,8-9,11,15,26H,4,7,10,12H2,(H3,19,21,22,23)/t15-/m1/s1
InChIKeyDMFQZDHXNSGHPL-OAHLLOKOSA-N
XLogP1.95
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 68887567
4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2-carbonitrile
CID 58976905
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
N-[4-[[1-[2-[(3S,5R)-4-acetyl-3,5-dimethyl-1,4-diazepan-1-yl]-4-pyridinyl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]acetamide
CID 25242292
[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 124506768
1-isoquinolin-3-yl-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976903
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide
CID 117092889
[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 146761795
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708
2,2-dimethylpropyl N-[4-[[1-[2-(4-acetyl-1,4-diazepan-1-yl)-4-pyridinyl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]carbamate
CID 58613314
[1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 71525809
[(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 86329335

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol (CID 58976657) is [(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol is Nc1nc(Nc2ccccc2)nn1-c1ccnc(N2CCC[C@@H]2CO)c1.
What is the InChIKey of [(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is DMFQZDHXNSGHPL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N7O/c19-17-22-18(21-13-5-2-1-3-6-13)23-25(17)14-8-9-20-16(11-14)24-10-4-7-15(24)12-26/h1-3,5-6,8-9,11,15,26H,4,7,10,12H2,(H3,19,21,22,23)/t15-/m1/s1.
What are the key properties of [(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 351.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 58976657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).