3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one

C6H10N4O — CID 136952756

IUPAC3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESNCC1(c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C6H10N4O/c7-3-6(1-2-6)4-8-5(11)10-9-4/h1-3,7H2,(H2,8,9,10,11)
InChIKeyGIJCNCVJTAARIN-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.91
Rot. Bonds2

About 3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136952756) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136952756
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESNCC1(c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C6H10N4O/c7-3-6(1-2-6)4-8-5(11)10-9-4/h1-3,7H2,(H2,8,9,10,11)
InChIKeyGIJCNCVJTAARIN-UHFFFAOYSA-N
XLogP-0.91
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylcyclopropyl)-1H-1,2,4-triazol-5(4H)-one
CID 135987464
3-(1-Aminobutan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136272030
3-(1-Amino-3-methylbutan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136272032
3-(4-Aminobutan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136278273
3-(3-Amino-2-methylpropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136288987
3-(1-Amino-2-methylbutan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136322356
3-[1-(Aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137004485
3-(1-Amino-2-methylpropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137012509
3-[3-(Aminomethyl)pentan-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137012524

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136952756) is 3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one is NCC1(c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is GIJCNCVJTAARIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-3-6(1-2-6)4-8-5(11)10-9-4/h1-3,7H2,(H2,8,9,10,11).
What are the key properties of 3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 154.17 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136952756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).