3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine

C11H18N6 — CID 7688194

IUPAC3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)N(c1ncnc2c1nnn2C)C(C)C
InChIInChI=1S/C11H18N6/c1-7(2)17(8(3)4)11-9-10(12-6-13-11)16(5)15-14-9/h6-8H,1-5H3
InChIKeyUNRQRSVWTUTSAB-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.38
Rot. Bonds3

About 3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine

3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7688194) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID7688194
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)N(c1ncnc2c1nnn2C)C(C)C
InChIInChI=1S/C11H18N6/c1-7(2)17(8(3)4)11-9-10(12-6-13-11)16(5)15-14-9/h6-8H,1-5H3
InChIKeyUNRQRSVWTUTSAB-UHFFFAOYSA-N
XLogP1.38
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine (CID 7688194) is 3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine is CC(C)N(c1ncnc2c1nnn2C)C(C)C.
What is the InChIKey of 3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is UNRQRSVWTUTSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-7(2)17(8(3)4)11-9-10(12-6-13-11)16(5)15-14-9/h6-8H,1-5H3.
What are the key properties of 3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine?
3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 234.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7688194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).