N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine

C8H13N5 — CID 66716527

IUPACN,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine
SMILESCC1=CCn2ncnc2N1N(C)C
InChIInChI=1S/C8H13N5/c1-7-4-5-12-8(9-6-10-12)13(7)11(2)3/h4,6H,5H2,1-3H3
InChIKeyOYLBFVYQQQWVLR-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.48
Rot. Bonds1

About N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine

N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine (PubChem CID 66716527) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine
PubChem CID66716527
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC NameN,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine
SMILESCC1=CCn2ncnc2N1N(C)C
InChIInChI=1S/C8H13N5/c1-7-4-5-12-8(9-6-10-12)13(7)11(2)3/h4,6H,5H2,1-3H3
InChIKeyOYLBFVYQQQWVLR-UHFFFAOYSA-N
XLogP0.48
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine?
The IUPAC name of N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine (CID 66716527) is N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine.
What is the SMILES notation for N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine?
The canonical SMILES for N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine is CC1=CCn2ncnc2N1N(C)C.
What is the InChIKey of N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine?
The InChIKey is OYLBFVYQQQWVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-7-4-5-12-8(9-6-10-12)13(7)11(2)3/h4,6H,5H2,1-3H3.
What are the key properties of N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine?
N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine has a molecular weight of 179.23 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine is sourced from PubChem (CID 66716527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).