3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C16H23N7O — CID 86772880

IUPAC3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1nnc2n1CC(NCc1cnc(N3CCOCC3)nc1)CC2
InChIInChI=1S/C16H23N7O/c1-12-20-21-15-3-2-14(11-23(12)15)17-8-13-9-18-16(19-10-13)22-4-6-24-7-5-22/h9-10,14,17H,2-8,11H2,1H3
InChIKeyVKFZNOLJMMJPKR-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.32
Rot. Bonds4

About 3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 86772880) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID86772880
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1nnc2n1CC(NCc1cnc(N3CCOCC3)nc1)CC2
InChIInChI=1S/C16H23N7O/c1-12-20-21-15-3-2-14(11-23(12)15)17-8-13-9-18-16(19-10-13)22-4-6-24-7-5-22/h9-10,14,17H,2-8,11H2,1H3
InChIKeyVKFZNOLJMMJPKR-UHFFFAOYSA-N
XLogP0.32
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 86772880) is 3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1nnc2n1CC(NCc1cnc(N3CCOCC3)nc1)CC2.
What is the InChIKey of 3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is VKFZNOLJMMJPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-12-20-21-15-3-2-14(11-23(12)15)17-8-13-9-18-16(19-10-13)22-4-6-24-7-5-22/h9-10,14,17H,2-8,11H2,1H3.
What are the key properties of 3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 329.41 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 86772880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).