2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile

C13H13N5 — CID 97231256

IUPAC2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@H]1CCCc2cn[nH]c21
InChIInChI=1S/C13H13N5/c14-7-9-4-2-6-15-13(9)17-11-5-1-3-10-8-16-18-12(10)11/h2,4,6,8,11H,1,3,5H2,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyYGHVXDOKODHUCS-NSHDSACASA-N
MW239.28 g/mol
LogP2.17
Rot. Bonds2

About 2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile

2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile (PubChem CID 97231256) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile
PubChem CID97231256
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@H]1CCCc2cn[nH]c21
InChIInChI=1S/C13H13N5/c14-7-9-4-2-6-15-13(9)17-11-5-1-3-10-8-16-18-12(10)11/h2,4,6,8,11H,1,3,5H2,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyYGHVXDOKODHUCS-NSHDSACASA-N
XLogP2.17
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile (CID 97231256) is 2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1N[C@H]1CCCc2cn[nH]c21.
What is the InChIKey of 2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile?
The InChIKey is YGHVXDOKODHUCS-NSHDSACASA-N. The full InChI is InChI=1S/C13H13N5/c14-7-9-4-2-6-15-13(9)17-11-5-1-3-10-8-16-18-12(10)11/h2,4,6,8,11H,1,3,5H2,(H,15,17)(H,16,18)/t11-/m0/s1.
What are the key properties of 2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile?
2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 97231256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).