4-butyltriazine

C7H11N3 — CID 22904582

IUPAC4-butyltriazine
SMILESCCCCc1ccnnn1
InChIInChI=1S/C7H11N3/c1-2-3-4-7-5-6-8-10-9-7/h5-6H,2-4H2,1H3
InChIKeyNDPZQHRYQCGMTA-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.21
Rot. Bonds3

About 4-butyltriazine

4-butyltriazine (PubChem CID 22904582) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 4-butyltriazine.

Molecular Properties

Compound Name4-butyltriazine
PubChem CID22904582
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name4-butyltriazine
SMILESCCCCc1ccnnn1
InChIInChI=1S/C7H11N3/c1-2-3-4-7-5-6-8-10-9-7/h5-6H,2-4H2,1H3
InChIKeyNDPZQHRYQCGMTA-UHFFFAOYSA-N
XLogP1.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyltriazine?
The IUPAC name of 4-butyltriazine (CID 22904582) is 4-butyltriazine.
What is the SMILES notation for 4-butyltriazine?
The canonical SMILES for 4-butyltriazine is CCCCc1ccnnn1.
What is the InChIKey of 4-butyltriazine?
The InChIKey is NDPZQHRYQCGMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-4-7-5-6-8-10-9-7/h5-6H,2-4H2,1H3.
What are the key properties of 4-butyltriazine?
4-butyltriazine has a molecular weight of 137.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyltriazine is sourced from PubChem (CID 22904582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).