N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine

C10H17N7O — CID 114256066

IUPACN-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine
SMILESCOc1cc(NCc2cn(CCN)nn2)nn1C
InChIInChI=1S/C10H17N7O/c1-16-10(18-2)5-9(14-16)12-6-8-7-17(4-3-11)15-13-8/h5,7H,3-4,6,11H2,1-2H3,(H,12,14)
InChIKeySGNQOIQXJDDHGB-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.41
Rot. Bonds6

About N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine

N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine (PubChem CID 114256066) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine
PubChem CID114256066
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine
SMILESCOc1cc(NCc2cn(CCN)nn2)nn1C
InChIInChI=1S/C10H17N7O/c1-16-10(18-2)5-9(14-16)12-6-8-7-17(4-3-11)15-13-8/h5,7H,3-4,6,11H2,1-2H3,(H,12,14)
InChIKeySGNQOIQXJDDHGB-UHFFFAOYSA-N
XLogP-0.41
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-methoxy-1-methylpyrazol-3-yl)amino]ethanol
CID 130168341
2-[4-[[[3,5-bis[[[1-(2-aminoethyl)triazol-4-yl]methylamino]methyl]-2,4,6-trimethylphenyl]methylamino]methyl]triazol-1-yl]ethanamine
CID 101168096
N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine
CID 114100578
N-[(2-bromo-3-fluorophenyl)methyl]-5-methoxy-1-methylpyrazol-3-amine
CID 114255821
N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine
CID 114255669
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine
CID 114256795
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114256788
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-6-methylpyridin-2-amine
CID 114256789
5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine
CID 114255682
2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
CID 66269585
2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine
CID 106012253

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine?
The IUPAC name of N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine (CID 114256066) is N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine is COc1cc(NCc2cn(CCN)nn2)nn1C.
What is the InChIKey of N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine?
The InChIKey is SGNQOIQXJDDHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-16-10(18-2)5-9(14-16)12-6-8-7-17(4-3-11)15-13-8/h5,7H,3-4,6,11H2,1-2H3,(H,12,14).
What are the key properties of N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine?
N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine has a molecular weight of 251.29 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine is sourced from PubChem (CID 114256066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).