3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine

C10H17N3 — CID 21363472

IUPAC3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine
SMILESCc1nnc(C(C)C)c(C(C)C)n1
InChIInChI=1S/C10H17N3/c1-6(2)9-10(7(3)4)13-12-8(5)11-9/h6-7H,1-5H3
InChIKeyKVHQNQCYBUYYGF-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.43
Rot. Bonds2

About 3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine

3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine (PubChem CID 21363472) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine
PubChem CID21363472
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine
SMILESCc1nnc(C(C)C)c(C(C)C)n1
InChIInChI=1S/C10H17N3/c1-6(2)9-10(7(3)4)13-12-8(5)11-9/h6-7H,1-5H3
InChIKeyKVHQNQCYBUYYGF-UHFFFAOYSA-N
XLogP2.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine?
The IUPAC name of 3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine (CID 21363472) is 3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine.
What is the SMILES notation for 3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine?
The canonical SMILES for 3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine is Cc1nnc(C(C)C)c(C(C)C)n1.
What is the InChIKey of 3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine?
The InChIKey is KVHQNQCYBUYYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-6(2)9-10(7(3)4)13-12-8(5)11-9/h6-7H,1-5H3.
What are the key properties of 3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine?
3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine has a molecular weight of 179.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-di(propan-2-yl)-1,2,4-triazine is sourced from PubChem (CID 21363472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).