methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate

C10H12N6O2 — CID 66287461

IUPACmethyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(C)c2nn[nH]n2)ccn1
InChIInChI=1S/C10H12N6O2/c1-6(9-13-15-16-14-9)12-7-3-4-11-8(5-7)10(17)18-2/h3-6H,1-2H3,(H,11,12)(H,13,14,15,16)
InChIKeyAKYYFCBFFPWUQJ-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.55
Rot. Bonds4

About methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate

methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate (PubChem CID 66287461) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate
PubChem CID66287461
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Namemethyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(C)c2nn[nH]n2)ccn1
InChIInChI=1S/C10H12N6O2/c1-6(9-13-15-16-14-9)12-7-3-4-11-8(5-7)10(17)18-2/h3-6H,1-2H3,(H,11,12)(H,13,14,15,16)
InChIKeyAKYYFCBFFPWUQJ-UHFFFAOYSA-N
XLogP0.55
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 106282841
methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate
CID 66284629
methyl 4-(4-ethylsulfanylbutan-2-ylamino)pyridine-2-carboxylate
CID 113268490
methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate
CID 66286519
3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid
CID 81077972
2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 106170716
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate
CID 66285885
2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60912147
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
CID 83029565
methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
CID 113243750

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate (CID 66287461) is methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate is COC(=O)c1cc(NC(C)c2nn[nH]n2)ccn1.
What is the InChIKey of methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate?
The InChIKey is AKYYFCBFFPWUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-6(9-13-15-16-14-9)12-7-3-4-11-8(5-7)10(17)18-2/h3-6H,1-2H3,(H,11,12)(H,13,14,15,16).
What are the key properties of methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate?
methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate has a molecular weight of 248.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate is sourced from PubChem (CID 66287461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).