(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine

C9H12N4 — CID 97056959

IUPAC(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cnc2cc[nH]c2c1
InChIInChI=1S/C9H12N4/c10-4-7(11)6-3-9-8(13-5-6)1-2-12-9/h1-3,5,7,12H,4,10-11H2/t7-/m0/s1
InChIKeyCJRUYMMUBRMLGU-ZETCQYMHSA-N
MW176.22 g/mol
LogP0.52
Rot. Bonds2

About (1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine

(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine (PubChem CID 97056959) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is (1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine
PubChem CID97056959
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cnc2cc[nH]c2c1
InChIInChI=1S/C9H12N4/c10-4-7(11)6-3-9-8(13-5-6)1-2-12-9/h1-3,5,7,12H,4,10-11H2/t7-/m0/s1
InChIKeyCJRUYMMUBRMLGU-ZETCQYMHSA-N
XLogP0.52
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170828191
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine
CID 84771242
(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one
CID 97056961
4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
CID 171881415
2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
CID 76847430
3,4-dihydroxy-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)butanoic acid
CID 171877833
ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane
CID 142447462
2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
CID 89389519
2-methyl-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-amine
CID 84771256
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180
5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine
CID 130738641
2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine (CID 97056959) is (1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine is NC[C@H](N)c1cnc2cc[nH]c2c1.
What is the InChIKey of (1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine?
The InChIKey is CJRUYMMUBRMLGU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N4/c10-4-7(11)6-3-9-8(13-5-6)1-2-12-9/h1-3,5,7,12H,4,10-11H2/t7-/m0/s1.
What are the key properties of (1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine?
(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine has a molecular weight of 176.22 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 97056959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).