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

C12H21N5O — CID 67592793

IUPAC3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESNc1nc(NCCCO)nc(C2CCCCC2)n1
InChIInChI=1S/C12H21N5O/c13-11-15-10(9-5-2-1-3-6-9)16-12(17-11)14-7-4-8-18/h9,18H,1-8H2,(H3,13,14,15,16,17)
InChIKeyVKXQBPNPIZHOBP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.30
Rot. Bonds5

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

3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol (PubChem CID 67592793) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol
PubChem CID67592793
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESNc1nc(NCCCO)nc(C2CCCCC2)n1
InChIInChI=1S/C12H21N5O/c13-11-15-10(9-5-2-1-3-6-9)16-12(17-11)14-7-4-8-18/h9,18H,1-8H2,(H3,13,14,15,16,17)
InChIKeyVKXQBPNPIZHOBP-UHFFFAOYSA-N
XLogP1.30
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol (CID 67592793) is 3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol is Nc1nc(NCCCO)nc(C2CCCCC2)n1.
What is the InChIKey of 3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The InChIKey is VKXQBPNPIZHOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-11-15-10(9-5-2-1-3-6-9)16-12(17-11)14-7-4-8-18/h9,18H,1-8H2,(H3,13,14,15,16,17).
What are the key properties of 3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 67592793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).