N-diaminophosphorylmethanamine;hydrochloride

CH9ClN3OP — CID 172818192

IUPACN-diaminophosphorylmethanamine;hydrochloride
SMILESCNP(N)(N)=O.Cl
InChIInChI=1S/CH8N3OP.ClH/c1-4-6(2,3)5;/h1H3,(H5,2,3,4,5);1H
InChIKeyTVXJIRACNVXWMD-UHFFFAOYSA-N
MW145.53 g/mol
LogP-0.35
Rot. Bonds1

About N-diaminophosphorylmethanamine;hydrochloride

N-diaminophosphorylmethanamine;hydrochloride (PubChem CID 172818192) has the molecular formula CH9ClN3OP and a molecular weight of 145.53 g/mol. Its IUPAC name is N-diaminophosphorylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-diaminophosphorylmethanamine;hydrochloride
PubChem CID172818192
Molecular FormulaCH9ClN3OP
Molecular Weight145.53 g/mol
Exact Mass145.02
IUPAC NameN-diaminophosphorylmethanamine;hydrochloride
SMILESCNP(N)(N)=O.Cl
InChIInChI=1S/CH8N3OP.ClH/c1-4-6(2,3)5;/h1H3,(H5,2,3,4,5);1H
InChIKeyTVXJIRACNVXWMD-UHFFFAOYSA-N
XLogP-0.35
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.53
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diaminophosphorylmethanamine;hydrochloride?
The IUPAC name of N-diaminophosphorylmethanamine;hydrochloride (CID 172818192) is N-diaminophosphorylmethanamine;hydrochloride.
What is the SMILES notation for N-diaminophosphorylmethanamine;hydrochloride?
The canonical SMILES for N-diaminophosphorylmethanamine;hydrochloride is CNP(N)(N)=O.Cl.
What is the InChIKey of N-diaminophosphorylmethanamine;hydrochloride?
The InChIKey is TVXJIRACNVXWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH8N3OP.ClH/c1-4-6(2,3)5;/h1H3,(H5,2,3,4,5);1H.
What are the key properties of N-diaminophosphorylmethanamine;hydrochloride?
N-diaminophosphorylmethanamine;hydrochloride has a molecular weight of 145.53 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphorylmethanamine;hydrochloride is sourced from PubChem (CID 172818192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).