(2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile

C16H25N7 — CID 97074799

IUPAC(2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile
SMILESCc1nnc(CN(C)[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)n1C
InChIInChI=1S/C16H25N7/c1-13-19-20-16(22(13)3)12-21(2)15-6-8-23(11-15)10-14(9-18)5-4-7-17/h14-15H,4-6,8,10-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyZJYTYMZGTDMTEY-LSDHHAIUSA-N
MW315.43 g/mol
LogP1.07
Rot. Bonds7

About (2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile

(2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile (PubChem CID 97074799) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is (2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile
PubChem CID97074799
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name(2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile
SMILESCc1nnc(CN(C)[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)n1C
InChIInChI=1S/C16H25N7/c1-13-19-20-16(22(13)3)12-21(2)15-6-8-23(11-15)10-14(9-18)5-4-7-17/h14-15H,4-6,8,10-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyZJYTYMZGTDMTEY-LSDHHAIUSA-N
XLogP1.07
TPSA84.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 97008172
(2S)-2-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 98775213
2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 71871797
(2S)-2-[[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 100858845
3-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-4-fluorobenzonitrile
CID 97074825
(3S)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 97074834
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97004091
N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 100871535
3-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide
CID 97217347
(2S)-1-[(3S)-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 97009601
(2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile
CID 97011968
(2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 96524376

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile?
The IUPAC name of (2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile (CID 97074799) is (2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for (2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for (2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile is Cc1nnc(CN(C)[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)n1C.
What is the InChIKey of (2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile?
The InChIKey is ZJYTYMZGTDMTEY-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H25N7/c1-13-19-20-16(22(13)3)12-21(2)15-6-8-23(11-15)10-14(9-18)5-4-7-17/h14-15H,4-6,8,10-12H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile?
(2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile has a molecular weight of 315.43 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 97074799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).