1-amino-1-(cyanomethyl)guanidine;formonitrile

C4H8N6 — CID 87969037

IUPAC1-amino-1-(cyanomethyl)guanidine;formonitrile
SMILESC#N.[H]/N=C(\N)N(N)CC#N
InChIInChI=1S/C3H7N5.CHN/c4-1-2-8(7)3(5)6;1-2/h2,7H2,(H3,5,6);1H
InChIKeyPQODUBQHYIENQW-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.28
Rot. Bonds1

About 1-amino-1-(cyanomethyl)guanidine;formonitrile

1-amino-1-(cyanomethyl)guanidine;formonitrile (PubChem CID 87969037) has the molecular formula C4H8N6 and a molecular weight of 140.15 g/mol. Its IUPAC name is 1-amino-1-(cyanomethyl)guanidine;formonitrile.

Molecular Properties

Compound Name1-amino-1-(cyanomethyl)guanidine;formonitrile
PubChem CID87969037
Molecular FormulaC4H8N6
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC Name1-amino-1-(cyanomethyl)guanidine;formonitrile
SMILESC#N.[H]/N=C(\N)N(N)CC#N
InChIInChI=1S/C3H7N5.CHN/c4-1-2-8(7)3(5)6;1-2/h2,7H2,(H3,5,6);1H
InChIKeyPQODUBQHYIENQW-UHFFFAOYSA-N
XLogP-1.28
TPSA126.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 1-amino-1-(cyanomethyl)guanidine;formonitrile?
The IUPAC name of 1-amino-1-(cyanomethyl)guanidine;formonitrile (CID 87969037) is 1-amino-1-(cyanomethyl)guanidine;formonitrile.
What is the SMILES notation for 1-amino-1-(cyanomethyl)guanidine;formonitrile?
The canonical SMILES for 1-amino-1-(cyanomethyl)guanidine;formonitrile is C#N.[H]/N=C(\N)N(N)CC#N.
What is the InChIKey of 1-amino-1-(cyanomethyl)guanidine;formonitrile?
The InChIKey is PQODUBQHYIENQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5.CHN/c4-1-2-8(7)3(5)6;1-2/h2,7H2,(H3,5,6);1H.
What are the key properties of 1-amino-1-(cyanomethyl)guanidine;formonitrile?
1-amino-1-(cyanomethyl)guanidine;formonitrile has a molecular weight of 140.15 g/mol, XLogP of -1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(cyanomethyl)guanidine;formonitrile is sourced from PubChem (CID 87969037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).