4-chloro-5-pentoxytriazine

C8H12ClN3O — CID 88526030

IUPAC4-chloro-5-pentoxytriazine
SMILESCCCCCOc1cnnnc1Cl
InChIInChI=1S/C8H12ClN3O/c1-2-3-4-5-13-7-6-10-12-11-8(7)9/h6H,2-5H2,1H3
InChIKeyHZDCVYFNLGGZEJ-UHFFFAOYSA-N
MW201.66 g/mol
LogP2.09
Rot. Bonds5

About 4-chloro-5-pentoxytriazine

4-chloro-5-pentoxytriazine (PubChem CID 88526030) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 4-chloro-5-pentoxytriazine.

Molecular Properties

Compound Name4-chloro-5-pentoxytriazine
PubChem CID88526030
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name4-chloro-5-pentoxytriazine
SMILESCCCCCOc1cnnnc1Cl
InChIInChI=1S/C8H12ClN3O/c1-2-3-4-5-13-7-6-10-12-11-8(7)9/h6H,2-5H2,1H3
InChIKeyHZDCVYFNLGGZEJ-UHFFFAOYSA-N
XLogP2.09
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-pentoxy-1,2,5-thiadiazole
CID 10703512
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
1,2,4-trichloro-5-undecoxybenzene
CID 518118
5-chloro-4-pentoxy-1H-pyridazin-6-one
CID 58896774
1,2,3-trichloro-4-pentoxybenzene
CID 101293544
2,3,6,7,10-pentahexoxy-11-[7-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyheptoxy]triphenylene
CID 100981967
2-dodecoxy-3,6,7,10,11-pentahexoxytriphenylene
CID 86225228
1,2,3,4-tetrachloro-5-heptoxybenzene
CID 101293567
1,2,3-trichloro-4-octoxybenzene
CID 23191648
4,5-dioctoxybenzene-1,2-diamine;dihydrochloride
CID 71614381
1,4-bis(chloromethyl)-2,5-dipentoxybenzene
CID 71342783
(3-pentoxy-2-pyridinyl)hydrazine
CID 55281396

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-pentoxytriazine?
The IUPAC name of 4-chloro-5-pentoxytriazine (CID 88526030) is 4-chloro-5-pentoxytriazine.
What is the SMILES notation for 4-chloro-5-pentoxytriazine?
The canonical SMILES for 4-chloro-5-pentoxytriazine is CCCCCOc1cnnnc1Cl.
What is the InChIKey of 4-chloro-5-pentoxytriazine?
The InChIKey is HZDCVYFNLGGZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-2-3-4-5-13-7-6-10-12-11-8(7)9/h6H,2-5H2,1H3.
What are the key properties of 4-chloro-5-pentoxytriazine?
4-chloro-5-pentoxytriazine has a molecular weight of 201.66 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-pentoxytriazine is sourced from PubChem (CID 88526030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).