1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

C15H14N6 — CID 66414837

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESc1cnc2[nH]cc(CNCc3nnc4ccccn34)c2c1
InChIInChI=1S/C15H14N6/c1-2-7-21-13(5-1)19-20-14(21)10-16-8-11-9-18-15-12(11)4-3-6-17-15/h1-7,9,16H,8,10H2,(H,17,18)
InChIKeySGDFUUINUZPKTD-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.90
Rot. Bonds4

About 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (PubChem CID 66414837) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
PubChem CID66414837
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESc1cnc2[nH]cc(CNCc3nnc4ccccn34)c2c1
InChIInChI=1S/C15H14N6/c1-2-7-21-13(5-1)19-20-14(21)10-16-8-11-9-18-15-12(11)4-3-6-17-15/h1-7,9,16H,8,10H2,(H,17,18)
InChIKeySGDFUUINUZPKTD-UHFFFAOYSA-N
XLogP1.90
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711656
1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711073
1-pyrazolo[1,5-a]pyridin-3-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 63312006
4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
CID 114331386
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 62472572
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66413703
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
2-pyridin-3-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416226
2-(1,2,4-oxadiazol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 114183344
3-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 28711709

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (CID 66414837) is 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is c1cnc2[nH]cc(CNCc3nnc4ccccn34)c2c1.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is SGDFUUINUZPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-2-7-21-13(5-1)19-20-14(21)10-16-8-11-9-18-15-12(11)4-3-6-17-15/h1-7,9,16H,8,10H2,(H,17,18).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 278.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 66414837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).