2-(1H-1,2,4-triazol-5-ylmethyl)morpholine

C7H12N4O — CID 19966927

IUPAC2-(1H-1,2,4-triazol-5-ylmethyl)morpholine
SMILESc1n[nH]c(CC2CNCCO2)n1
InChIInChI=1S/C7H12N4O/c1-2-12-6(4-8-1)3-7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyAZVVULZYHHKFJS-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.66
Rot. Bonds2

About 2-(1H-1,2,4-triazol-5-ylmethyl)morpholine

2-(1H-1,2,4-triazol-5-ylmethyl)morpholine (PubChem CID 19966927) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylmethyl)morpholine
PubChem CID19966927
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(1H-1,2,4-triazol-5-ylmethyl)morpholine
SMILESc1n[nH]c(CC2CNCCO2)n1
InChIInChI=1S/C7H12N4O/c1-2-12-6(4-8-1)3-7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyAZVVULZYHHKFJS-UHFFFAOYSA-N
XLogP-0.66
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-1,2,4-triazol-3-yl)morpholine
CID 65547861
2-(3-ethyl-1H-1,2,4-triazol-5-yl)morpholine
CID 61736625
2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine
CID 72124933
2-(4-methyl-4H-1,2,4-triazol-3-yl)morpholine dihydrochloride
CID 86811670
2-(1H-1,2,4-triazol-3-yl)morpholine dihydrochloride
CID 137951328
2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine hydrochloride
CID 137964473
1-(1,3,5-Triazolyl)-3-piperazinyl-2-propanol
CID 57185165
2-(4-ethyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62692797
2-(3-methyl-1H-1,2,4-triazol-5-yl)morpholine
CID 61736624
Morpholine, 2-(1H-1,2,4-triazol-5-yl)-
CID 61737607
2-(4-methyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62691768
2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]morpholine
CID 105478802

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylmethyl)morpholine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylmethyl)morpholine (CID 19966927) is 2-(1H-1,2,4-triazol-5-ylmethyl)morpholine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylmethyl)morpholine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylmethyl)morpholine is c1n[nH]c(CC2CNCCO2)n1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylmethyl)morpholine?
The InChIKey is AZVVULZYHHKFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-2-12-6(4-8-1)3-7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylmethyl)morpholine?
2-(1H-1,2,4-triazol-5-ylmethyl)morpholine has a molecular weight of 168.20 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylmethyl)morpholine is sourced from PubChem (CID 19966927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).