1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol

C12H25N5O — CID 63332888

IUPAC1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCCc1nncn1C
InChIInChI=1S/C12H25N5O/c1-4-17(5-2)9-11(18)8-13-7-6-12-15-14-10-16(12)3/h10-11,13,18H,4-9H2,1-3H3
InChIKeyYZRJRDNSHGSAKQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP-0.35
Rot. Bonds9

About 1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol

1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (PubChem CID 63332888) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
PubChem CID63332888
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC Name1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCCc1nncn1C
InChIInChI=1S/C12H25N5O/c1-4-17(5-2)9-11(18)8-13-7-6-12-15-14-10-16(12)3/h10-11,13,18H,4-9H2,1-3H3
InChIKeyYZRJRDNSHGSAKQ-UHFFFAOYSA-N
XLogP-0.35
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
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 1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (CID 63332888) is 1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is CCN(CC)CC(O)CNCCc1nncn1C.
What is the InChIKey of 1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is YZRJRDNSHGSAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-4-17(5-2)9-11(18)8-13-7-6-12-15-14-10-16(12)3/h10-11,13,18H,4-9H2,1-3H3.
What are the key properties of 1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 255.37 g/mol, XLogP of -0.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 63332888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).