1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine

C16H19N7 — CID 11673967

IUPAC1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine
SMILESCc1[nH]nc2ccc(-c3nncc(N4CCCC(N)C4)n3)cc12
InChIInChI=1S/C16H19N7/c1-10-13-7-11(4-5-14(13)21-20-10)16-19-15(8-18-22-16)23-6-2-3-12(17)9-23/h4-5,7-8,12H,2-3,6,9,17H2,1H3,(H,20,21)
InChIKeyIDXMVPCXUIBVIK-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.65
Rot. Bonds2

About 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine

1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine (PubChem CID 11673967) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine
PubChem CID11673967
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine
SMILESCc1[nH]nc2ccc(-c3nncc(N4CCCC(N)C4)n3)cc12
InChIInChI=1S/C16H19N7/c1-10-13-7-11(4-5-14(13)21-20-10)16-19-15(8-18-22-16)23-6-2-3-12(17)9-23/h4-5,7-8,12H,2-3,6,9,17H2,1H3,(H,20,21)
InChIKeyIDXMVPCXUIBVIK-UHFFFAOYSA-N
XLogP1.65
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine?
The IUPAC name of 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine (CID 11673967) is 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine.
What is the SMILES notation for 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine?
The canonical SMILES for 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine is Cc1[nH]nc2ccc(-c3nncc(N4CCCC(N)C4)n3)cc12.
What is the InChIKey of 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine?
The InChIKey is IDXMVPCXUIBVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-10-13-7-11(4-5-14(13)21-20-10)16-19-15(8-18-22-16)23-6-2-3-12(17)9-23/h4-5,7-8,12H,2-3,6,9,17H2,1H3,(H,20,21).
What are the key properties of 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine?
1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine has a molecular weight of 309.38 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine is sourced from PubChem (CID 11673967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).