2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate

C9H13N9O2 — CID 83215293

IUPAC2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate
SMILESCNc1nc(NCCOC(N)=O)nc(-n2cncn2)n1
InChIInChI=1S/C9H13N9O2/c1-11-7-15-8(13-2-3-20-6(10)19)17-9(16-7)18-5-12-4-14-18/h4-5H,2-3H2,1H3,(H2,10,19)(H2,11,13,15,16,17)
InChIKeyBGHMBFBILMIHAJ-UHFFFAOYSA-N
MW279.26 g/mol
LogP-1.00
Rot. Bonds6

About 2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate

2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate (PubChem CID 83215293) has the molecular formula C9H13N9O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate
PubChem CID83215293
Molecular FormulaC9H13N9O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate
SMILESCNc1nc(NCCOC(N)=O)nc(-n2cncn2)n1
InChIInChI=1S/C9H13N9O2/c1-11-7-15-8(13-2-3-20-6(10)19)17-9(16-7)18-5-12-4-14-18/h4-5H,2-3H2,1H3,(H2,10,19)(H2,11,13,15,16,17)
InChIKeyBGHMBFBILMIHAJ-UHFFFAOYSA-N
XLogP-1.00
TPSA145.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215607
4-N-methyl-2-N-(3-propoxypropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 82940362
4-N-methyl-2-N-pentyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80785739
3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80775795
2-N-(2-methoxyethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765193
2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide
CID 106240091
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
4-N-ethyl-2-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 104767007
4-hydrazinyl-N-(3-methoxypropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80942901
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843254
2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80788657

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate?
The IUPAC name of 2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate (CID 83215293) is 2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate?
The canonical SMILES for 2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate is CNc1nc(NCCOC(N)=O)nc(-n2cncn2)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate?
The InChIKey is BGHMBFBILMIHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N9O2/c1-11-7-15-8(13-2-3-20-6(10)19)17-9(16-7)18-5-12-4-14-18/h4-5H,2-3H2,1H3,(H2,10,19)(H2,11,13,15,16,17).
What are the key properties of 2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate?
2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate has a molecular weight of 279.26 g/mol, XLogP of -1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate is sourced from PubChem (CID 83215293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).