3-ethyl-6-propan-2-yl-4H-triazine

C8H15N3 — CID 91335343

IUPAC3-ethyl-6-propan-2-yl-4H-triazine
SMILESCCN1CC=C(C(C)C)N=N1
InChIInChI=1S/C8H15N3/c1-4-11-6-5-8(7(2)3)9-10-11/h5,7H,4,6H2,1-3H3
InChIKeyKQSZCRWTLOIXKX-UHFFFAOYSA-N
MW153.23 g/mol
LogP2.23
Rot. Bonds2

About 3-ethyl-6-propan-2-yl-4H-triazine

3-ethyl-6-propan-2-yl-4H-triazine (PubChem CID 91335343) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-ethyl-6-propan-2-yl-4H-triazine.

Molecular Properties

Compound Name3-ethyl-6-propan-2-yl-4H-triazine
PubChem CID91335343
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-ethyl-6-propan-2-yl-4H-triazine
SMILESCCN1CC=C(C(C)C)N=N1
InChIInChI=1S/C8H15N3/c1-4-11-6-5-8(7(2)3)9-10-11/h5,7H,4,6H2,1-3H3
InChIKeyKQSZCRWTLOIXKX-UHFFFAOYSA-N
XLogP2.23
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-propan-2-yl-4H-triazine?
The IUPAC name of 3-ethyl-6-propan-2-yl-4H-triazine (CID 91335343) is 3-ethyl-6-propan-2-yl-4H-triazine.
What is the SMILES notation for 3-ethyl-6-propan-2-yl-4H-triazine?
The canonical SMILES for 3-ethyl-6-propan-2-yl-4H-triazine is CCN1CC=C(C(C)C)N=N1.
What is the InChIKey of 3-ethyl-6-propan-2-yl-4H-triazine?
The InChIKey is KQSZCRWTLOIXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-11-6-5-8(7(2)3)9-10-11/h5,7H,4,6H2,1-3H3.
What are the key properties of 3-ethyl-6-propan-2-yl-4H-triazine?
3-ethyl-6-propan-2-yl-4H-triazine has a molecular weight of 153.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-propan-2-yl-4H-triazine is sourced from PubChem (CID 91335343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).