N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide

C8H14N6O2 — CID 162765450

IUPACN-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide
SMILESCNC(=O)NCCn1cc(CNC=O)nn1
InChIInChI=1S/C8H14N6O2/c1-9-8(16)11-2-3-14-5-7(12-13-14)4-10-6-15/h5-6H,2-4H2,1H3,(H,10,15)(H2,9,11,16)
InChIKeyUYOXCIBZFNQIPQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.55
Rot. Bonds6

About N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide

N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide (PubChem CID 162765450) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide
PubChem CID162765450
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC NameN-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide
SMILESCNC(=O)NCCn1cc(CNC=O)nn1
InChIInChI=1S/C8H14N6O2/c1-9-8(16)11-2-3-14-5-7(12-13-14)4-10-6-15/h5-6H,2-4H2,1H3,(H,10,15)(H2,9,11,16)
InChIKeyUYOXCIBZFNQIPQ-UHFFFAOYSA-N
XLogP-1.55
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide
CID 145496803
ethane;1-methyl-3-[6-(4-pentyltriazol-1-yl)hexyl]urea
CID 170621416
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
3-[4-(methylaminomethyl)triazol-1-yl]propylurea
CID 156794759
ethane;[1-[3-(ethylamino)propyl]triazol-4-yl]methylcarbamothioic S-acid
CID 156802536
N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66192957
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
CID 166768800
ethane;N-[2-(methylamino)ethyl]-2-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethylamino]acetamide
CID 176576322
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192745
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
CID 66269035
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 66215047

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide?
The IUPAC name of N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide (CID 162765450) is N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide.
What is the SMILES notation for N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide?
The canonical SMILES for N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide is CNC(=O)NCCn1cc(CNC=O)nn1.
What is the InChIKey of N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide?
The InChIKey is UYOXCIBZFNQIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-9-8(16)11-2-3-14-5-7(12-13-14)4-10-6-15/h5-6H,2-4H2,1H3,(H,10,15)(H2,9,11,16).
What are the key properties of N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide?
N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide has a molecular weight of 226.24 g/mol, XLogP of -1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide is sourced from PubChem (CID 162765450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).