N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine

C7H10N6 — CID 7424113

IUPACN-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCNc1ncnc2c1nnn2C
InChIInChI=1S/C7H10N6/c1-3-8-6-5-7(10-4-9-6)13(2)12-11-5/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyNFBFVAVRNSBBFK-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.19
Rot. Bonds2

About N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine

N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7424113) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7424113
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC NameN-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCNc1ncnc2c1nnn2C
InChIInChI=1S/C7H10N6/c1-3-8-6-5-7(10-4-9-6)13(2)12-11-5/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyNFBFVAVRNSBBFK-UHFFFAOYSA-N
XLogP0.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine (CID 7424113) is N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine is CCNc1ncnc2c1nnn2C.
What is the InChIKey of N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is NFBFVAVRNSBBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-3-8-6-5-7(10-4-9-6)13(2)12-11-5/h4H,3H2,1-2H3,(H,8,9,10).
What are the key properties of N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 178.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7424113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).