N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine

C10H14N4 — CID 112709573

IUPACN'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine
SMILESCn1ccc2nccc(NCCN)c21
InChIInChI=1S/C10H14N4/c1-14-7-3-9-10(14)8(2-5-12-9)13-6-4-11/h2-3,5,7H,4,6,11H2,1H3,(H,12,13)
InChIKeyKTOFXTDGSIPZHS-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.94
Rot. Bonds3

About N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine

N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine (PubChem CID 112709573) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine
PubChem CID112709573
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine
SMILESCn1ccc2nccc(NCCN)c21
InChIInChI=1S/C10H14N4/c1-14-7-3-9-10(14)8(2-5-12-9)13-6-4-11/h2-3,5,7H,4,6,11H2,1H3,(H,12,13)
InChIKeyKTOFXTDGSIPZHS-UHFFFAOYSA-N
XLogP0.94
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethylamino)quinoline-7-carbonitrile
CID 71713002
N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine
CID 83830093
N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
CID 84655641
N'-quinolin-5-ylethane-1,2-diamine
CID 81217065
5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 140546052
N'-(3-fluoro-4-pyridinyl)ethane-1,2-diamine
CID 112703774
6-(2-aminoethylamino)quinoline-5-carbonitrile
CID 23188461
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine
CID 163275230
methyl 4-(2-aminoethylamino)pyridine-3-carboxylate
CID 83830923
N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine
CID 142090147
2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid
CID 83832708

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine (CID 112709573) is N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine is Cn1ccc2nccc(NCCN)c21.
What is the InChIKey of N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine?
The InChIKey is KTOFXTDGSIPZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-14-7-3-9-10(14)8(2-5-12-9)13-6-4-11/h2-3,5,7H,4,6,11H2,1H3,(H,12,13).
What are the key properties of N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine?
N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine has a molecular weight of 190.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 112709573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).