3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol

C13H27N7O — CID 106358407

IUPAC3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCCN(CC)c1nc(NN)nc(NC(CCO)C(C)C)n1
InChIInChI=1S/C13H27N7O/c1-5-20(6-2)13-17-11(16-12(18-13)19-14)15-10(7-8-21)9(3)4/h9-10,21H,5-8,14H2,1-4H3,(H2,15,16,17,18,19)
InChIKeySDKNFWIZWILPJH-UHFFFAOYSA-N
MW297.41 g/mol
LogP0.82
Rot. Bonds9

About 3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol

3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (PubChem CID 106358407) has the molecular formula C13H27N7O and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
PubChem CID106358407
Molecular FormulaC13H27N7O
Molecular Weight297.41 g/mol
Exact Mass297.23
IUPAC Name3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCCN(CC)c1nc(NN)nc(NC(CCO)C(C)C)n1
InChIInChI=1S/C13H27N7O/c1-5-20(6-2)13-17-11(16-12(18-13)19-14)15-10(7-8-21)9(3)4/h9-10,21H,5-8,14H2,1-4H3,(H2,15,16,17,18,19)
InChIKeySDKNFWIZWILPJH-UHFFFAOYSA-N
XLogP0.82
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (CID 106358407) is 3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is CCN(CC)c1nc(NN)nc(NC(CCO)C(C)C)n1.
What is the InChIKey of 3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The InChIKey is SDKNFWIZWILPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N7O/c1-5-20(6-2)13-17-11(16-12(18-13)19-14)15-10(7-8-21)9(3)4/h9-10,21H,5-8,14H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol has a molecular weight of 297.41 g/mol, XLogP of 0.82, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106358407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).