4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C15H19N7 — CID 56884197

IUPAC4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCn1nc(-c2cc(N)nc3[nH]ccc23)nc1N1CCCCC1
InChIInChI=1S/C15H19N7/c1-21-15(22-7-3-2-4-8-22)19-14(20-21)11-9-12(16)18-13-10(11)5-6-17-13/h5-6,9H,2-4,7-8H2,1H3,(H3,16,17,18)
InChIKeyLCRGUTKDNYUQLQ-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.93
Rot. Bonds2

About 4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56884197) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56884197
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCn1nc(-c2cc(N)nc3[nH]ccc23)nc1N1CCCCC1
InChIInChI=1S/C15H19N7/c1-21-15(22-7-3-2-4-8-22)19-14(20-21)11-9-12(16)18-13-10(11)5-6-17-13/h5-6,9H,2-4,7-8H2,1H3,(H3,16,17,18)
InChIKeyLCRGUTKDNYUQLQ-UHFFFAOYSA-N
XLogP1.93
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56884197) is 4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine is Cn1nc(-c2cc(N)nc3[nH]ccc23)nc1N1CCCCC1.
What is the InChIKey of 4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is LCRGUTKDNYUQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-21-15(22-7-3-2-4-8-22)19-14(20-21)11-9-12(16)18-13-10(11)5-6-17-13/h5-6,9H,2-4,7-8H2,1H3,(H3,16,17,18).
What are the key properties of 4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 297.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56884197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).