N'-amino-5-chloro-1H-imidazole-4-carboximidamide

C4H6ClN5 — CID 136951489

IUPACN'-amino-5-chloro-1H-imidazole-4-carboximidamide
SMILESN/N=C(\N)c1nc[nH]c1Cl
InChIInChI=1S/C4H6ClN5/c5-3-2(4(6)10-7)8-1-9-3/h1H,7H2,(H2,6,10)(H,8,9)
InChIKeySURGGKHOKJUFEB-UHFFFAOYSA-N
MW159.58 g/mol
LogP-0.36
Rot. Bonds1

About N'-amino-5-chloro-1H-imidazole-4-carboximidamide

N'-amino-5-chloro-1H-imidazole-4-carboximidamide (PubChem CID 136951489) has the molecular formula C4H6ClN5 and a molecular weight of 159.58 g/mol. Its IUPAC name is N'-amino-5-chloro-1H-imidazole-4-carboximidamide.

Molecular Properties

Compound NameN'-amino-5-chloro-1H-imidazole-4-carboximidamide
PubChem CID136951489
Molecular FormulaC4H6ClN5
Molecular Weight159.58 g/mol
Exact Mass159.03
IUPAC NameN'-amino-5-chloro-1H-imidazole-4-carboximidamide
SMILESN/N=C(\N)c1nc[nH]c1Cl
InChIInChI=1S/C4H6ClN5/c5-3-2(4(6)10-7)8-1-9-3/h1H,7H2,(H2,6,10)(H,8,9)
InChIKeySURGGKHOKJUFEB-UHFFFAOYSA-N
XLogP-0.36
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

N',4-diamino-1H-imidazole-5-carboximidamide
CID 139592585
N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide
CID 136645011
N'-amino-3H-benzimidazole-5-carboximidamide
CID 58433226
(NE)-N-[(5-chloro-1H-imidazol-4-yl)methylidene]hydroxylamine
CID 137006997
4,5-dichloro-1H-imidazole;methanethioamide
CID 157313681
N'-amino-3,5-dimethylpyridine-2-carboximidamide
CID 126973150
N'-amino-3-methylpyridine-2-carboximidamide
CID 69377303
N'-aminopyrimidine-2-carboximidamide;hydrochloride
CID 139228373
4-chloro-1H-benzimidazole-5-carboxamide
CID 130877031
N'-aminopyridine-2-carboximidamide
CID 5464234
N'-amino-1,3-thiazole-2-carboximidamide
CID 55279378
3-chloro-N'-hydroxypyrazine-2-carboximidamide
CID 135742050

Frequently Asked Questions

What is the IUPAC name of N'-amino-5-chloro-1H-imidazole-4-carboximidamide?
The IUPAC name of N'-amino-5-chloro-1H-imidazole-4-carboximidamide (CID 136951489) is N'-amino-5-chloro-1H-imidazole-4-carboximidamide.
What is the SMILES notation for N'-amino-5-chloro-1H-imidazole-4-carboximidamide?
The canonical SMILES for N'-amino-5-chloro-1H-imidazole-4-carboximidamide is N/N=C(\N)c1nc[nH]c1Cl.
What is the InChIKey of N'-amino-5-chloro-1H-imidazole-4-carboximidamide?
The InChIKey is SURGGKHOKJUFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN5/c5-3-2(4(6)10-7)8-1-9-3/h1H,7H2,(H2,6,10)(H,8,9).
What are the key properties of N'-amino-5-chloro-1H-imidazole-4-carboximidamide?
N'-amino-5-chloro-1H-imidazole-4-carboximidamide has a molecular weight of 159.58 g/mol, XLogP of -0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-5-chloro-1H-imidazole-4-carboximidamide is sourced from PubChem (CID 136951489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).