N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine

C12H17N5O — CID 106302541

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCCn1cnnc1CNCc1cccnc1OC
InChIInChI=1S/C12H17N5O/c1-3-17-9-15-16-11(17)8-13-7-10-5-4-6-14-12(10)18-2/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyHPTRPSJFJYUDKO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.99
Rot. Bonds6

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine (PubChem CID 106302541) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
PubChem CID106302541
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCCn1cnnc1CNCc1cccnc1OC
InChIInChI=1S/C12H17N5O/c1-3-17-9-15-16-11(17)8-13-7-10-5-4-6-14-12(10)18-2/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyHPTRPSJFJYUDKO-UHFFFAOYSA-N
XLogP0.99
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 54927196
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513
1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 107914372
methyl 3-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]furan-2-carboxylate
CID 103920442
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684
6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol
CID 113373334

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine (CID 106302541) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine is CCn1cnnc1CNCc1cccnc1OC.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The InChIKey is HPTRPSJFJYUDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-17-9-15-16-11(17)8-13-7-10-5-4-6-14-12(10)18-2/h4-6,9,13H,3,7-8H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine has a molecular weight of 247.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 106302541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).