methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate

C6H7ClN4O2 — CID 114999415

IUPACmethyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate
SMILESCOC(=O)CNc1cnnc(Cl)n1
InChIInChI=1S/C6H7ClN4O2/c1-13-5(12)3-8-4-2-9-11-6(7)10-4/h2H,3H2,1H3,(H,8,10,11)
InChIKeyCOZSZHPNUXMYQQ-UHFFFAOYSA-N
MW202.60 g/mol
LogP0.11
Rot. Bonds3

About methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate

methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate (PubChem CID 114999415) has the molecular formula C6H7ClN4O2 and a molecular weight of 202.60 g/mol. Its IUPAC name is methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate
PubChem CID114999415
Molecular FormulaC6H7ClN4O2
Molecular Weight202.60 g/mol
Exact Mass202.03
IUPAC Namemethyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate
SMILESCOC(=O)CNc1cnnc(Cl)n1
InChIInChI=1S/C6H7ClN4O2/c1-13-5(12)3-8-4-2-9-11-6(7)10-4/h2H,3H2,1H3,(H,8,10,11)
InChIKeyCOZSZHPNUXMYQQ-UHFFFAOYSA-N
XLogP0.11
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
CID 82237449
3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine
CID 114999418
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-3-methylbutanoate
CID 114999989
3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 114998205
3-chloro-N-pentyl-1,2,4-triazin-5-amine
CID 114999369
methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
CID 61312351
methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
CID 54594897
methyl 2-(1H-imidazol-5-ylamino)acetate
CID 45120743
ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
CID 62342073
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103
methyl 2-(3,5-dichloroanilino)acetate
CID 28576225
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate?
The IUPAC name of methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate (CID 114999415) is methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate?
The canonical SMILES for methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate is COC(=O)CNc1cnnc(Cl)n1.
What is the InChIKey of methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate?
The InChIKey is COZSZHPNUXMYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O2/c1-13-5(12)3-8-4-2-9-11-6(7)10-4/h2H,3H2,1H3,(H,8,10,11).
What are the key properties of methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate?
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate has a molecular weight of 202.60 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate is sourced from PubChem (CID 114999415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).