1-amino-1-(triazin-4-yl)guanidine

C4H7N7 — CID 67905399

IUPAC1-amino-1-(triazin-4-yl)guanidine
SMILES[H]/N=C(\N)N(N)c1ccnnn1
InChIInChI=1S/C4H7N7/c5-4(6)11(7)3-1-2-8-10-9-3/h1-2H,7H2,(H3,5,6)
InChIKeyHMVRYPBPTCPRGI-UHFFFAOYSA-N
MW153.15 g/mol
LogP-1.55
Rot. Bonds1

About 1-amino-1-(triazin-4-yl)guanidine

1-amino-1-(triazin-4-yl)guanidine (PubChem CID 67905399) has the molecular formula C4H7N7 and a molecular weight of 153.15 g/mol. Its IUPAC name is 1-amino-1-(triazin-4-yl)guanidine.

Molecular Properties

Compound Name1-amino-1-(triazin-4-yl)guanidine
PubChem CID67905399
Molecular FormulaC4H7N7
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name1-amino-1-(triazin-4-yl)guanidine
SMILES[H]/N=C(\N)N(N)c1ccnnn1
InChIInChI=1S/C4H7N7/c5-4(6)11(7)3-1-2-8-10-9-3/h1-2H,7H2,(H3,5,6)
InChIKeyHMVRYPBPTCPRGI-UHFFFAOYSA-N
XLogP-1.55
TPSA117.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(triazin-4-yl)guanidine?
The IUPAC name of 1-amino-1-(triazin-4-yl)guanidine (CID 67905399) is 1-amino-1-(triazin-4-yl)guanidine.
What is the SMILES notation for 1-amino-1-(triazin-4-yl)guanidine?
The canonical SMILES for 1-amino-1-(triazin-4-yl)guanidine is [H]/N=C(\N)N(N)c1ccnnn1.
What is the InChIKey of 1-amino-1-(triazin-4-yl)guanidine?
The InChIKey is HMVRYPBPTCPRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N7/c5-4(6)11(7)3-1-2-8-10-9-3/h1-2H,7H2,(H3,5,6).
What are the key properties of 1-amino-1-(triazin-4-yl)guanidine?
1-amino-1-(triazin-4-yl)guanidine has a molecular weight of 153.15 g/mol, XLogP of -1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(triazin-4-yl)guanidine is sourced from PubChem (CID 67905399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).