3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine

C7H9N5O — CID 2726529

IUPAC3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCc2ccco2)n[nH]1
InChIInChI=1S/C7H9N5O/c8-6-10-7(12-11-6)9-4-5-2-1-3-13-5/h1-3H,4H2,(H4,8,9,10,11,12)
InChIKeyDEJOEPVELWHIDY-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.59
Rot. Bonds3

About 3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 2726529) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID2726529
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCc2ccco2)n[nH]1
InChIInChI=1S/C7H9N5O/c8-6-10-7(12-11-6)9-4-5-2-1-3-13-5/h1-3H,4H2,(H4,8,9,10,11,12)
InChIKeyDEJOEPVELWHIDY-UHFFFAOYSA-N
XLogP0.59
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-allyl-6-chloro-N'-(2-furylmethyl)-1,3,5-triazine-2,4-diamine
CID 2053611
5-(2-Furyl)-4h-1,2,4-triazol-3-amine
CID 10034780
N-Allyl-6-ethoxy-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 649892
6-Chloro-N-furan-2-ylmethyl-N',N'-dipropyl-[1,3,5]triazine-2,4-diamine
CID 695780
5-[5-[(dimethylamino)methyl]furan-2-yl]-1H-1,2,4-triazol-3-amine
CID 13676594
3-{4-[(Furan-2-yl)methyl]piperazin-1-yl}-1H-1,2,4-triazol-5-amine
CID 13267637
N-[4-(1H-1,2,4-Triazol-1-yl)butyl]-2-furancarboxamide
CID 20266540
N5-[2-[[[5-(Dimethylamino)methyl-2-furanyl]methyl]thio]ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 70570522
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
CID 977112
[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14450395
6-chloro-N-(furan-2-ylmethyl)-N'-hexyl-1,3,5-triazine-2,4-diamine
CID 3124820
(3-(furan-2-yl)-1H-1,2,4-triazol-5-yl)methanamine hydrochloride
CID 50988711

Frequently Asked Questions

What is the IUPAC name of 3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine (CID 2726529) is 3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine is Nc1nc(NCc2ccco2)n[nH]1.
What is the InChIKey of 3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is DEJOEPVELWHIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c8-6-10-7(12-11-6)9-4-5-2-1-3-13-5/h1-3H,4H2,(H4,8,9,10,11,12).
What are the key properties of 3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 179.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 2726529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).