2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine

C15H23N7 — CID 56778051

IUPAC2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine
SMILESCCc1nc2n(n1)CC(Nc1nc(C)cc(N(C)C)n1)CC2
InChIInChI=1S/C15H23N7/c1-5-12-18-13-7-6-11(9-22(13)20-12)17-15-16-10(2)8-14(19-15)21(3)4/h8,11H,5-7,9H2,1-4H3,(H,16,17,19)
InChIKeyYOQZHYWPAZUDKC-UHFFFAOYSA-N
MW301.40 g/mol
LogP1.43
Rot. Bonds4

About 2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine

2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine (PubChem CID 56778051) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine
PubChem CID56778051
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine
SMILESCCc1nc2n(n1)CC(Nc1nc(C)cc(N(C)C)n1)CC2
InChIInChI=1S/C15H23N7/c1-5-12-18-13-7-6-11(9-22(13)20-12)17-15-16-10(2)8-14(19-15)21(3)4/h8,11H,5-7,9H2,1-4H3,(H,16,17,19)
InChIKeyYOQZHYWPAZUDKC-UHFFFAOYSA-N
XLogP1.43
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine (CID 56778051) is 2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine is CCc1nc2n(n1)CC(Nc1nc(C)cc(N(C)C)n1)CC2.
What is the InChIKey of 2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The InChIKey is YOQZHYWPAZUDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-5-12-18-13-7-6-11(9-22(13)20-12)17-15-16-10(2)8-14(19-15)21(3)4/h8,11H,5-7,9H2,1-4H3,(H,16,17,19).
What are the key properties of 2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine?
2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine has a molecular weight of 301.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 56778051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).