N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine

C16H22N8 — CID 90017820

IUPACN-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine
SMILESCc1cc(C)n2nc(CCc3nc(N(C)C4CC4)nn3C)nc2n1
InChIInChI=1S/C16H22N8/c1-10-9-11(2)24-15(17-10)18-13(20-24)7-8-14-19-16(21-23(14)4)22(3)12-5-6-12/h9,12H,5-8H2,1-4H3
InChIKeyGCTBFORWPKSMMN-UHFFFAOYSA-N
MW326.41 g/mol
LogP1.25
Rot. Bonds5

About N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine

N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine (PubChem CID 90017820) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine
PubChem CID90017820
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC NameN-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine
SMILESCc1cc(C)n2nc(CCc3nc(N(C)C4CC4)nn3C)nc2n1
InChIInChI=1S/C16H22N8/c1-10-9-11(2)24-15(17-10)18-13(20-24)7-8-14-19-16(21-23(14)4)22(3)12-5-6-12/h9,12H,5-8H2,1-4H3
InChIKeyGCTBFORWPKSMMN-UHFFFAOYSA-N
XLogP1.25
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine (CID 90017820) is N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine is Cc1cc(C)n2nc(CCc3nc(N(C)C4CC4)nn3C)nc2n1.
What is the InChIKey of N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is GCTBFORWPKSMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8/c1-10-9-11(2)24-15(17-10)18-13(20-24)7-8-14-19-16(21-23(14)4)22(3)12-5-6-12/h9,12H,5-8H2,1-4H3.
What are the key properties of N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine?
N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 326.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 90017820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).