2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate

C7H13N5O2 — CID 83211857

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate
SMILESCn1ncnc1CNCCOC(N)=O
InChIInChI=1S/C7H13N5O2/c1-12-6(10-5-11-12)4-9-2-3-14-7(8)13/h5,9H,2-4H2,1H3,(H2,8,13)
InChIKeyZAXKOPMYDVFCGL-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.00
Rot. Bonds5

About 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate

2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate (PubChem CID 83211857) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate
PubChem CID83211857
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate
SMILESCn1ncnc1CNCCOC(N)=O
InChIInChI=1S/C7H13N5O2/c1-12-6(10-5-11-12)4-9-2-3-14-7(8)13/h5,9H,2-4H2,1H3,(H2,8,13)
InChIKeyZAXKOPMYDVFCGL-UHFFFAOYSA-N
XLogP-1.00
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
CID 112673660
1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol
CID 106246462
5-[(2-methyl-1,2,4-triazol-3-yl)methylamino]pentan-1-ol
CID 107317324
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate
CID 83209239
4-iodo-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 106844460
2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide
CID 106237724
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate
CID 83211873
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 82723136
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]hex-5-yn-1-amine
CID 106211368
2,2-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propan-1-ol
CID 115359975
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
CID 83202397

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate (CID 83211857) is 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate is Cn1ncnc1CNCCOC(N)=O.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate?
The InChIKey is ZAXKOPMYDVFCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-12-6(10-5-11-12)4-9-2-3-14-7(8)13/h5,9H,2-4H2,1H3,(H2,8,13).
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate?
2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate has a molecular weight of 199.21 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate is sourced from PubChem (CID 83211857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).