1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine

C5H11N7 — CID 59426525

IUPAC1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine
SMILESC/N=C(\N)NCN=C(N)NC#N
InChIInChI=1S/C5H11N7/c1-9-4(7)11-3-12-5(8)10-2-6/h3H2,1H3,(H3,7,9,11)(H3,8,10,12)
InChIKeyDVORXTZBAAYHSN-UHFFFAOYSA-N
MW169.19 g/mol
LogP-2.14
Rot. Bonds2

About 1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine

1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine (PubChem CID 59426525) has the molecular formula C5H11N7 and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine
PubChem CID59426525
Molecular FormulaC5H11N7
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine
SMILESC/N=C(\N)NCN=C(N)NC#N
InChIInChI=1S/C5H11N7/c1-9-4(7)11-3-12-5(8)10-2-6/h3H2,1H3,(H3,7,9,11)(H3,8,10,12)
InChIKeyDVORXTZBAAYHSN-UHFFFAOYSA-N
XLogP-2.14
TPSA124.61 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine?
The IUPAC name of 1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine (CID 59426525) is 1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine.
What is the SMILES notation for 1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine?
The canonical SMILES for 1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine is C/N=C(\N)NCN=C(N)NC#N.
What is the InChIKey of 1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine?
The InChIKey is DVORXTZBAAYHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N7/c1-9-4(7)11-3-12-5(8)10-2-6/h3H2,1H3,(H3,7,9,11)(H3,8,10,12).
What are the key properties of 1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine?
1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine has a molecular weight of 169.19 g/mol, XLogP of -2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[amino-(cyanoamino)methylidene]amino]methyl]-2-methylguanidine is sourced from PubChem (CID 59426525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).