5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine

C9H13N5 — CID 161457064

IUPAC5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine
SMILESCc1nc(C)n2nnc(C(C)C)c2n1
InChIInChI=1S/C9H13N5/c1-5(2)8-9-11-6(3)10-7(4)14(9)13-12-8/h5H,1-4H3
InChIKeyMZMSHKPVRVJHTH-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.26
Rot. Bonds1

About 5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine

5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine (PubChem CID 161457064) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine
PubChem CID161457064
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine
SMILESCc1nc(C)n2nnc(C(C)C)c2n1
InChIInChI=1S/C9H13N5/c1-5(2)8-9-11-6(3)10-7(4)14(9)13-12-8/h5H,1-4H3
InChIKeyMZMSHKPVRVJHTH-UHFFFAOYSA-N
XLogP1.26
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine (CID 161457064) is 5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine is Cc1nc(C)n2nnc(C(C)C)c2n1.
What is the InChIKey of 5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine?
The InChIKey is MZMSHKPVRVJHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-5(2)8-9-11-6(3)10-7(4)14(9)13-12-8/h5H,1-4H3.
What are the key properties of 5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine?
5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine has a molecular weight of 191.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 161457064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).