1-diazenylpropane-1,1-diamine

C3H10N4 — CID 57165704

IUPAC1-diazenylpropane-1,1-diamine
SMILES[H]/N=N/C(N)(N)CC
InChIInChI=1S/C3H10N4/c1-2-3(4,5)7-6/h6H,2,4-5H2,1H3/b7-6+
InChIKeyPTWFLNAQTRZXSH-VOTSOKGWSA-N
MW102.14 g/mol
LogP-0.00
Rot. Bonds2

About 1-diazenylpropane-1,1-diamine

1-diazenylpropane-1,1-diamine (PubChem CID 57165704) has the molecular formula C3H10N4 and a molecular weight of 102.14 g/mol. Its IUPAC name is 1-diazenylpropane-1,1-diamine.

Molecular Properties

Compound Name1-diazenylpropane-1,1-diamine
PubChem CID57165704
Molecular FormulaC3H10N4
Molecular Weight102.14 g/mol
Exact Mass102.09
IUPAC Name1-diazenylpropane-1,1-diamine
SMILES[H]/N=N/C(N)(N)CC
InChIInChI=1S/C3H10N4/c1-2-3(4,5)7-6/h6H,2,4-5H2,1H3/b7-6+
InChIKeyPTWFLNAQTRZXSH-VOTSOKGWSA-N
XLogP-0.00
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diazenylpropane-1,1-diamine?
The IUPAC name of 1-diazenylpropane-1,1-diamine (CID 57165704) is 1-diazenylpropane-1,1-diamine.
What is the SMILES notation for 1-diazenylpropane-1,1-diamine?
The canonical SMILES for 1-diazenylpropane-1,1-diamine is [H]/N=N/C(N)(N)CC.
What is the InChIKey of 1-diazenylpropane-1,1-diamine?
The InChIKey is PTWFLNAQTRZXSH-VOTSOKGWSA-N. The full InChI is InChI=1S/C3H10N4/c1-2-3(4,5)7-6/h6H,2,4-5H2,1H3/b7-6+.
What are the key properties of 1-diazenylpropane-1,1-diamine?
1-diazenylpropane-1,1-diamine has a molecular weight of 102.14 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenylpropane-1,1-diamine is sourced from PubChem (CID 57165704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).