3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one

C5H11N5O — CID 137003792

IUPAC3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCN(CCN)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H11N5O/c1-10(3-2-6)4-7-5(11)9-8-4/h2-3,6H2,1H3,(H2,7,8,9,11)
InChIKeyAQYYVIRFAJIYGC-UHFFFAOYSA-N
MW157.18 g/mol
LogP-1.51
Rot. Bonds3

About 3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one

3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137003792) has the molecular formula C5H11N5O and a molecular weight of 157.18 g/mol. Its IUPAC name is 3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137003792
Molecular FormulaC5H11N5O
Molecular Weight157.18 g/mol
Exact Mass157.10
IUPAC Name3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCN(CCN)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H11N5O/c1-10(3-2-6)4-7-5(11)9-8-4/h2-3,6H2,1H3,(H2,7,8,9,11)
InChIKeyAQYYVIRFAJIYGC-UHFFFAOYSA-N
XLogP-1.51
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one (CID 137003792) is 3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one is CN(CCN)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is AQYYVIRFAJIYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O/c1-10(3-2-6)4-7-5(11)9-8-4/h2-3,6H2,1H3,(H2,7,8,9,11).
What are the key properties of 3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one?
3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 157.18 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(methyl)amino]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137003792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).