2-[amino(methyl)amino]-3-hydrazinylaniline

C7H13N5 — CID 135136921

IUPAC2-[amino(methyl)amino]-3-hydrazinylaniline
SMILESCN(N)c1c(N)cccc1NN
InChIInChI=1S/C7H13N5/c1-12(10)7-5(8)3-2-4-6(7)11-9/h2-4,11H,8-10H2,1H3
InChIKeyGRZSFDBZGSIIMZ-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.14
Rot. Bonds2

About 2-[amino(methyl)amino]-3-hydrazinylaniline

2-[amino(methyl)amino]-3-hydrazinylaniline (PubChem CID 135136921) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-3-hydrazinylaniline.

Molecular Properties

Compound Name2-[amino(methyl)amino]-3-hydrazinylaniline
PubChem CID135136921
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name2-[amino(methyl)amino]-3-hydrazinylaniline
SMILESCN(N)c1c(N)cccc1NN
InChIInChI=1S/C7H13N5/c1-12(10)7-5(8)3-2-4-6(7)11-9/h2-4,11H,8-10H2,1H3
InChIKeyGRZSFDBZGSIIMZ-UHFFFAOYSA-N
XLogP-0.14
TPSA93.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]-3-hydrazinylaniline?
The IUPAC name of 2-[amino(methyl)amino]-3-hydrazinylaniline (CID 135136921) is 2-[amino(methyl)amino]-3-hydrazinylaniline.
What is the SMILES notation for 2-[amino(methyl)amino]-3-hydrazinylaniline?
The canonical SMILES for 2-[amino(methyl)amino]-3-hydrazinylaniline is CN(N)c1c(N)cccc1NN.
What is the InChIKey of 2-[amino(methyl)amino]-3-hydrazinylaniline?
The InChIKey is GRZSFDBZGSIIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-12(10)7-5(8)3-2-4-6(7)11-9/h2-4,11H,8-10H2,1H3.
What are the key properties of 2-[amino(methyl)amino]-3-hydrazinylaniline?
2-[amino(methyl)amino]-3-hydrazinylaniline has a molecular weight of 167.22 g/mol, XLogP of -0.14, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]-3-hydrazinylaniline is sourced from PubChem (CID 135136921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).