2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine

C7H15N5O — CID 79872613

IUPAC2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine
SMILESCOc1nc(N)n(CCN(C)C)n1
InChIInChI=1S/C7H15N5O/c1-11(2)4-5-12-6(8)9-7(10-12)13-3/h4-5H2,1-3H3,(H2,8,9,10)
InChIKeyQZUIAOHHYDEUEC-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.57
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine

2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine (PubChem CID 79872613) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine
PubChem CID79872613
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine
SMILESCOc1nc(N)n(CCN(C)C)n1
InChIInChI=1S/C7H15N5O/c1-11(2)4-5-12-6(8)9-7(10-12)13-3/h4-5H2,1-3H3,(H2,8,9,10)
InChIKeyQZUIAOHHYDEUEC-UHFFFAOYSA-N
XLogP-0.57
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine (CID 79872613) is 2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine is COc1nc(N)n(CCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine?
The InChIKey is QZUIAOHHYDEUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-11(2)4-5-12-6(8)9-7(10-12)13-3/h4-5H2,1-3H3,(H2,8,9,10).
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine?
2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine has a molecular weight of 185.23 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-methoxy-1,2,4-triazol-3-amine is sourced from PubChem (CID 79872613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).