1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol

C11H20N4O — CID 81252355

IUPAC1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol
SMILESCC1CCn2c(nnc2CC(C)(O)CN)C1
InChIInChI=1S/C11H20N4O/c1-8-3-4-15-9(5-8)13-14-10(15)6-11(2,16)7-12/h8,16H,3-7,12H2,1-2H3
InChIKeyRKXNFWJBKMMJKN-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.11
Rot. Bonds3

About 1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol

1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol (PubChem CID 81252355) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol
PubChem CID81252355
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol
SMILESCC1CCn2c(nnc2CC(C)(O)CN)C1
InChIInChI=1S/C11H20N4O/c1-8-3-4-15-9(5-8)13-14-10(15)6-11(2,16)7-12/h8,16H,3-7,12H2,1-2H3
InChIKeyRKXNFWJBKMMJKN-UHFFFAOYSA-N
XLogP0.11
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol (CID 81252355) is 1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol is CC1CCn2c(nnc2CC(C)(O)CN)C1.
What is the InChIKey of 1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol?
The InChIKey is RKXNFWJBKMMJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-3-4-15-9(5-8)13-14-10(15)6-11(2,16)7-12/h8,16H,3-7,12H2,1-2H3.
What are the key properties of 1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol?
1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol has a molecular weight of 224.31 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol is sourced from PubChem (CID 81252355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).