2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine

C12H26N5O2P — CID 3060476

IUPAC2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine
SMILESCCCCCc1nc(N)n(P(=O)(OCCC)N(C)C)n1
InChIInChI=1S/C12H26N5O2P/c1-5-7-8-9-11-14-12(13)17(15-11)20(18,16(3)4)19-10-6-2/h5-10H2,1-4H3,(H2,13,14,15)
InChIKeyOVLCWWVFCPOHIL-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.54
Rot. Bonds9

About 2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine

2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine (PubChem CID 3060476) has the molecular formula C12H26N5O2P and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine
PubChem CID3060476
Molecular FormulaC12H26N5O2P
Molecular Weight303.35 g/mol
Exact Mass303.18
IUPAC Name2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine
SMILESCCCCCc1nc(N)n(P(=O)(OCCC)N(C)C)n1
InChIInChI=1S/C12H26N5O2P/c1-5-7-8-9-11-14-12(13)17(15-11)20(18,16(3)4)19-10-6-2/h5-10H2,1-4H3,(H2,13,14,15)
InChIKeyOVLCWWVFCPOHIL-UHFFFAOYSA-N
XLogP2.54
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine (CID 3060476) is 2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine is CCCCCc1nc(N)n(P(=O)(OCCC)N(C)C)n1.
What is the InChIKey of 2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine?
The InChIKey is OVLCWWVFCPOHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N5O2P/c1-5-7-8-9-11-14-12(13)17(15-11)20(18,16(3)4)19-10-6-2/h5-10H2,1-4H3,(H2,13,14,15).
What are the key properties of 2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine?
2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine has a molecular weight of 303.35 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 3060476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).