N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide

C7H12N6O2 — CID 155720590

IUPACN-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide
SMILESCNNC(=O)N(Cc1cnc[nH]1)NC=O
InChIInChI=1S/C7H12N6O2/c1-8-12-7(15)13(11-5-14)3-6-2-9-4-10-6/h2,4-5,8H,3H2,1H3,(H,9,10)(H,11,14)(H,12,15)
InChIKeyQIMLVUZWIOBNLP-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.28
Rot. Bonds5

About N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide

N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide (PubChem CID 155720590) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide.

Molecular Properties

Compound NameN-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide
PubChem CID155720590
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC NameN-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide
SMILESCNNC(=O)N(Cc1cnc[nH]1)NC=O
InChIInChI=1S/C7H12N6O2/c1-8-12-7(15)13(11-5-14)3-6-2-9-4-10-6/h2,4-5,8H,3H2,1H3,(H,9,10)(H,11,14)(H,12,15)
InChIKeyQIMLVUZWIOBNLP-UHFFFAOYSA-N
XLogP-1.28
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one
CID 167242338
3-[ethyl(1H-imidazol-5-ylmethyl)amino]propanoic acid
CID 84758753
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
4-(1H-imidazol-5-yl)-3-methyl-3-(methylamino)butan-2-one
CID 59703175
N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide
CID 57292763
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
N-cyclopropyl-4-[[1H-imidazol-5-ylmethyl(methyl)amino]methyl]benzamide
CID 166193454
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide
CID 115747411
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648
N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide
CID 70309768

Frequently Asked Questions

What is the IUPAC name of N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide?
The IUPAC name of N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide (CID 155720590) is N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide.
What is the SMILES notation for N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide?
The canonical SMILES for N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide is CNNC(=O)N(Cc1cnc[nH]1)NC=O.
What is the InChIKey of N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide?
The InChIKey is QIMLVUZWIOBNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O2/c1-8-12-7(15)13(11-5-14)3-6-2-9-4-10-6/h2,4-5,8H,3H2,1H3,(H,9,10)(H,11,14)(H,12,15).
What are the key properties of N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide?
N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide has a molecular weight of 212.21 g/mol, XLogP of -1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide is sourced from PubChem (CID 155720590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).