1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile

C15H21N7O — CID 96512367

IUPAC1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile
SMILESCC(C)c1n[nH]c([C@H]2CN(CCn3cc(C#N)cn3)CCO2)n1
InChIInChI=1S/C15H21N7O/c1-11(2)14-18-15(20-19-14)13-10-21(5-6-23-13)3-4-22-9-12(7-16)8-17-22/h8-9,11,13H,3-6,10H2,1-2H3,(H,18,19,20)/t13-/m1/s1
InChIKeyQWZUGTIWCBJPOV-CYBMUJFWSA-N
MW315.38 g/mol
LogP1.07
Rot. Bonds5

About 1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile

1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile (PubChem CID 96512367) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile
PubChem CID96512367
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile
SMILESCC(C)c1n[nH]c([C@H]2CN(CCn3cc(C#N)cn3)CCO2)n1
InChIInChI=1S/C15H21N7O/c1-11(2)14-18-15(20-19-14)13-10-21(5-6-23-13)3-4-22-9-12(7-16)8-17-22/h8-9,11,13H,3-6,10H2,1-2H3,(H,18,19,20)/t13-/m1/s1
InChIKeyQWZUGTIWCBJPOV-CYBMUJFWSA-N
XLogP1.07
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1S)-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]benzonitrile
CID 96512401
4-[1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]benzonitrile
CID 71928068
4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 166305341
(2S)-4-[2-[(S)-phenylsulfinyl]ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 98775051
1,3-dimethyl-6-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 96512438
4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71928079
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 96512374
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
CID 96512379
(2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 96512363
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511784
4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71872308
2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide
CID 96510622

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile (CID 96512367) is 1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile is CC(C)c1n[nH]c([C@H]2CN(CCn3cc(C#N)cn3)CCO2)n1.
What is the InChIKey of 1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile?
The InChIKey is QWZUGTIWCBJPOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N7O/c1-11(2)14-18-15(20-19-14)13-10-21(5-6-23-13)3-4-22-9-12(7-16)8-17-22/h8-9,11,13H,3-6,10H2,1-2H3,(H,18,19,20)/t13-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile?
1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 96512367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).