N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H24N4O2 — CID 128525139

IUPACN-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCC1(CO)CC2(CCC2)C1)C1CCc2nncn2C1
InChIInChI=1S/C16H24N4O2/c21-10-16(7-15(8-16)4-1-5-15)9-17-14(22)12-2-3-13-19-18-11-20(13)6-12/h11-12,21H,1-10H2,(H,17,22)
InChIKeyQSKXQGLFEHMPCB-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.90
Rot. Bonds4

About N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 128525139) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID128525139
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCC1(CO)CC2(CCC2)C1)C1CCc2nncn2C1
InChIInChI=1S/C16H24N4O2/c21-10-16(7-15(8-16)4-1-5-15)9-17-14(22)12-2-3-13-19-18-11-20(13)6-12/h11-12,21H,1-10H2,(H,17,22)
InChIKeyQSKXQGLFEHMPCB-UHFFFAOYSA-N
XLogP0.90
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 128525139) is N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCC1(CO)CC2(CCC2)C1)C1CCc2nncn2C1.
What is the InChIKey of N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is QSKXQGLFEHMPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-10-16(7-15(8-16)4-1-5-15)9-17-14(22)12-2-3-13-19-18-11-20(13)6-12/h11-12,21H,1-10H2,(H,17,22).
What are the key properties of N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 128525139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).