N-diaminophosphinimyl-1H-imidazol-2-amine

C3H9N6P — CID 86091116

IUPACN-diaminophosphinimyl-1H-imidazol-2-amine
SMILES[H]N=P(N)(N)Nc1ncc[nH]1
InChIInChI=1S/C3H9N6P/c4-10(5,6)9-3-7-1-2-8-3/h1-2H,(H7,4,5,6,7,8,9)
InChIKeyXSRXKPCIYDWERH-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.26
Rot. Bonds2

About N-diaminophosphinimyl-1H-imidazol-2-amine

N-diaminophosphinimyl-1H-imidazol-2-amine (PubChem CID 86091116) has the molecular formula C3H9N6P and a molecular weight of 160.12 g/mol. Its IUPAC name is N-diaminophosphinimyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-diaminophosphinimyl-1H-imidazol-2-amine
PubChem CID86091116
Molecular FormulaC3H9N6P
Molecular Weight160.12 g/mol
Exact Mass160.06
IUPAC NameN-diaminophosphinimyl-1H-imidazol-2-amine
SMILES[H]N=P(N)(N)Nc1ncc[nH]1
InChIInChI=1S/C3H9N6P/c4-10(5,6)9-3-7-1-2-8-3/h1-2H,(H7,4,5,6,7,8,9)
InChIKeyXSRXKPCIYDWERH-UHFFFAOYSA-N
XLogP0.26
TPSA116.60 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine
CID 86091118
N-methylsulfanyl-1H-imidazol-2-amine
CID 163525236
N-ethenyl-1H-imidazol-2-amine
CID 119083694
N-propan-2-yl-1H-imidazol-2-amine
CID 55300557
1-amino-3-(1H-imidazol-2-yl)urea
CID 154210460
methane;N-propan-2-yl-1H-imidazol-2-amine
CID 158008675
1-N-(1H-imidazol-2-yl)propane-1,2-diamine
CID 139950297
3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide
CID 130600861
N-(4-fluorophenyl)-1H-imidazol-2-amine
CID 83695842
N-(1H-imidazol-2-yl)ethanethioamide
CID 54241450
N-prop-1-en-2-yl-1H-imidazol-2-amine
CID 142057882
N-(ethylsulfonimidoyl)-1H-imidazol-2-amine
CID 164657237

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphinimyl-1H-imidazol-2-amine?
The IUPAC name of N-diaminophosphinimyl-1H-imidazol-2-amine (CID 86091116) is N-diaminophosphinimyl-1H-imidazol-2-amine.
What is the SMILES notation for N-diaminophosphinimyl-1H-imidazol-2-amine?
The canonical SMILES for N-diaminophosphinimyl-1H-imidazol-2-amine is [H]N=P(N)(N)Nc1ncc[nH]1.
What is the InChIKey of N-diaminophosphinimyl-1H-imidazol-2-amine?
The InChIKey is XSRXKPCIYDWERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N6P/c4-10(5,6)9-3-7-1-2-8-3/h1-2H,(H7,4,5,6,7,8,9).
What are the key properties of N-diaminophosphinimyl-1H-imidazol-2-amine?
N-diaminophosphinimyl-1H-imidazol-2-amine has a molecular weight of 160.12 g/mol, XLogP of 0.26, 2 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphinimyl-1H-imidazol-2-amine is sourced from PubChem (CID 86091116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).