(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine

C7H14N4O — CID 42578621

IUPAC(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCOCCn1cnnc1[C@H](C)N
InChIInChI=1S/C7H14N4O/c1-6(8)7-10-9-5-11(7)3-4-12-2/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKeyHXCYXHDIFPGSHJ-LURJTMIESA-N
MW170.22 g/mol
LogP-0.06
Rot. Bonds4

About (1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine

(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 42578621) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is (1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID42578621
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCOCCn1cnnc1[C@H](C)N
InChIInChI=1S/C7H14N4O/c1-6(8)7-10-9-5-11(7)3-4-12-2/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKeyHXCYXHDIFPGSHJ-LURJTMIESA-N
XLogP-0.06
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16763504
(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine
CID 96850208
2-amino-2-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol dihydrochloride
CID 122164519
2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]ethan-1-amine
CID 28064117
2-Amino-2-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 62691759
3-[(2S,4R)-4-Methoxypyrrolidin-2-yl]-4-methyl-4H-1,2,4-triazole
CID 94552503
(1S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 164634458
[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methanamine
CID 50988295
2-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55201137
1-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62117713
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 62118452

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of (1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine (CID 42578621) is (1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for (1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine is COCCn1cnnc1[C@H](C)N.
What is the InChIKey of (1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is HXCYXHDIFPGSHJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N4O/c1-6(8)7-10-9-5-11(7)3-4-12-2/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 170.22 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 42578621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).