N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine

C9H12N4 — CID 84655641

IUPACN'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
SMILESNCCNc1ccnc2[nH]ccc12
InChIInChI=1S/C9H12N4/c10-3-6-11-8-2-5-13-9-7(8)1-4-12-9/h1-2,4-5H,3,6,10H2,(H2,11,12,13)
InChIKeyKQNOFZAZCFKVCV-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.93
Rot. Bonds3

About N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine

N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine (PubChem CID 84655641) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
PubChem CID84655641
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
SMILESNCCNc1ccnc2[nH]ccc12
InChIInChI=1S/C9H12N4/c10-3-6-11-8-2-5-13-9-7(8)1-4-12-9/h1-2,4-5H,3,6,10H2,(H2,11,12,13)
InChIKeyKQNOFZAZCFKVCV-UHFFFAOYSA-N
XLogP0.93
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride
CID 69263704
4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 22120662
N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
CID 84662769
1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine
CID 143384741
8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118
N'-(3-fluoro-4-pyridinyl)ethane-1,2-diamine
CID 112703774
N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803135
4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide
CID 18998617
4-(2-aminoethylamino)quinoline-7-carbonitrile
CID 71713002
N'-quinolin-5-ylethane-1,2-diamine
CID 81217065
N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 141161029
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094

Frequently Asked Questions

What is the IUPAC name of N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine (CID 84655641) is N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine is NCCNc1ccnc2[nH]ccc12.
What is the InChIKey of N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine?
The InChIKey is KQNOFZAZCFKVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c10-3-6-11-8-2-5-13-9-7(8)1-4-12-9/h1-2,4-5H,3,6,10H2,(H2,11,12,13).
What are the key properties of N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine?
N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine has a molecular weight of 176.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 84655641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).