6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile

C14H16N6O — CID 146113068

IUPAC6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n1
InChIInChI=1S/C14H16N6O/c15-5-11-6-17-7-14(18-11)19-12-3-10(4-13(12)21)8-20-2-1-16-9-20/h1-2,6-7,9-10,12-13,21H,3-4,8H2,(H,18,19)/t10?,12-,13-/m1/s1
InChIKeyVICRHCZSDGBQRB-SKVSWLLESA-N
MW284.32 g/mol
LogP0.80
Rot. Bonds4

About 6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile

6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile (PubChem CID 146113068) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile
PubChem CID146113068
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n1
InChIInChI=1S/C14H16N6O/c15-5-11-6-17-7-14(18-11)19-12-3-10(4-13(12)21)8-20-2-1-16-9-20/h1-2,6-7,9-10,12-13,21H,3-4,8H2,(H,18,19)/t10?,12-,13-/m1/s1
InChIKeyVICRHCZSDGBQRB-SKVSWLLESA-N
XLogP0.80
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol
CID 167988084
3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile
CID 154800415
4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile
CID 146113085
5,8-difluoro-4-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]quinoline-3-carbonitrile
CID 146113086
3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 146110385
trans-(1R,2R)-2-[[3-(hydroxymethyl)-4-pyridinyl]amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167883166
trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167847437
trans-(1R,2R)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167896963
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 154803148
trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167771937
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol
CID 146113081

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile (CID 146113068) is 6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile is N#Cc1cncc(N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n1.
What is the InChIKey of 6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile?
The InChIKey is VICRHCZSDGBQRB-SKVSWLLESA-N. The full InChI is InChI=1S/C14H16N6O/c15-5-11-6-17-7-14(18-11)19-12-3-10(4-13(12)21)8-20-2-1-16-9-20/h1-2,6-7,9-10,12-13,21H,3-4,8H2,(H,18,19)/t10?,12-,13-/m1/s1.
What are the key properties of 6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile?
6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 146113068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).