CID 156592344

C6H13N4O2 — CID 156592344

IUPAC—
SMILESN[C](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C6H13N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1-3,7H2,(H,11,12)(H4,8,9,10)
InChIKeyXBMRLEJHEDHDDD-UHFFFAOYSA-N
MW173.20 g/mol
LogP-1.38
Rot. Bonds5

About CID 156592344

CID 156592344 (PubChem CID 156592344) has the molecular formula C6H13N4O2 and a molecular weight of 173.20 g/mol.

Molecular Properties

Compound NameCID 156592344
PubChem CID156592344
Molecular FormulaC6H13N4O2
Molecular Weight173.20 g/mol
Exact Mass173.10
IUPAC Name—
SMILESN[C](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C6H13N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1-3,7H2,(H,11,12)(H4,8,9,10)
InChIKeyXBMRLEJHEDHDDD-UHFFFAOYSA-N
XLogP-1.38
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(diaminomethylideneamino) 4-(diaminomethylideneamino)butanoate
CID 138543862
oxalic acid;2-tetradecylguanidine
CID 88685065
2-(5-amino-4-oxohexyl)guanidine
CID 91573450
9-bromononanoic acid;9-(diaminomethylideneamino)nonanoic acid
CID 158146578
(4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid
CID 87088129
2-butylguanidine;octadecanoic acid
CID 158758420
2-(4-iodobutyl)guanidine
CID 155000477
acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363
2-(5-oxoheptyl)guanidine
CID 89070451
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786

Frequently Asked Questions

What is the IUPAC name of CID 156592344?
The IUPAC name of CID 156592344 (CID 156592344) is not available.
What is the SMILES notation for CID 156592344?
The canonical SMILES for CID 156592344 is N[C](CCCN=C(N)N)C(=O)O.
What is the InChIKey of CID 156592344?
The InChIKey is XBMRLEJHEDHDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1-3,7H2,(H,11,12)(H4,8,9,10).
What are the key properties of CID 156592344?
CID 156592344 has a molecular weight of 173.20 g/mol, XLogP of -1.38, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156592344 is sourced from PubChem (CID 156592344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).