2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine

C9H21N6OP — CID 3060555

IUPAC2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n(P(=O)(N(C)C)N(C)C)n1
InChIInChI=1S/C9H21N6OP/c1-6-7-8-11-9(10)15(12-8)17(16,13(2)3)14(4)5/h6-7H2,1-5H3,(H2,10,11,12)
InChIKeyLTIVOKKFLGGJBJ-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.89
Rot. Bonds5

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

2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine (PubChem CID 3060555) has the molecular formula C9H21N6OP and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine
PubChem CID3060555
Molecular FormulaC9H21N6OP
Molecular Weight260.28 g/mol
Exact Mass260.15
IUPAC Name2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n(P(=O)(N(C)C)N(C)C)n1
InChIInChI=1S/C9H21N6OP/c1-6-7-8-11-9(10)15(12-8)17(16,13(2)3)14(4)5/h6-7H2,1-5H3,(H2,10,11,12)
InChIKeyLTIVOKKFLGGJBJ-UHFFFAOYSA-N
XLogP0.89
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

WP 137
CID 120534
Propyl P-(5-imino-3-pentyl-2,5-dihydro-1H-1,2,4-triazol-1-yl)-N,N-dimethylphosphonamidate
CID 3060476
WP 254
CID 3060481
Phosphonic diamide, (5-amino-3-methyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl
CID 3060553
Phosphonic diamide, (5-amino-3-undecyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl
CID 3060557
Phosphonic diamide, (5-amino-3-ethyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl
CID 3060548
Phosphonic diamide, (5-amino-3-heptyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl
CID 3060549
Phosphonic diamide, (5-amino-3-isopropyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl
CID 3060550
Phosphonothioic diamide, (5-amino-3-methyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl
CID 3060558
Phosphonic diamide, (5-amino-3-isobutyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl
CID 3061037
Phosphonothioic diamide, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl
CID 24841652
Diethyl (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)phosphonate
CID 162624026

Frequently Asked Questions

What is the IUPAC name of 2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine (CID 3060555) is 2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine is CCCc1nc(N)n(P(=O)(N(C)C)N(C)C)n1.
What is the InChIKey of 2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine?
The InChIKey is LTIVOKKFLGGJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N6OP/c1-6-7-8-11-9(10)15(12-8)17(16,13(2)3)14(4)5/h6-7H2,1-5H3,(H2,10,11,12).
What are the key properties of 2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine?
2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine has a molecular weight of 260.28 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(dimethylamino)phosphoryl]-5-propyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 3060555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).