3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol

C7H11ClN4O — CID 171763594

IUPAC3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol
SMILESCc1nc(NCCCO)nnc1Cl
InChIInChI=1S/C7H11ClN4O/c1-5-6(8)11-12-7(10-5)9-3-2-4-13/h13H,2-4H2,1H3,(H,9,10,12)
InChIKeyKNRHBBIWWXYOMC-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.63
Rot. Bonds4

About 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol

3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol (PubChem CID 171763594) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol
PubChem CID171763594
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol
SMILESCc1nc(NCCCO)nnc1Cl
InChIInChI=1S/C7H11ClN4O/c1-5-6(8)11-12-7(10-5)9-3-2-4-13/h13H,2-4H2,1H3,(H,9,10,12)
InChIKeyKNRHBBIWWXYOMC-UHFFFAOYSA-N
XLogP0.63
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol (CID 171763594) is 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol is Cc1nc(NCCCO)nnc1Cl.
What is the InChIKey of 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol?
The InChIKey is KNRHBBIWWXYOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-5-6(8)11-12-7(10-5)9-3-2-4-13/h13H,2-4H2,1H3,(H,9,10,12).
What are the key properties of 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol?
3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol has a molecular weight of 202.64 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 171763594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).