N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine

C13H18N4O3 — CID 167915263

IUPACN-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCOC[C@@H]1CCO[C@@H]1c1nc(NCc2ccco2)n[nH]1
InChIInChI=1S/C13H18N4O3/c1-18-8-9-4-6-20-11(9)12-15-13(17-16-12)14-7-10-3-2-5-19-10/h2-3,5,9,11H,4,6-8H2,1H3,(H2,14,15,16,17)/t9-,11-/m0/s1
InChIKeyKVWAVFLSMGHESN-ONGXEEELSA-N
MW278.31 g/mol
LogP1.73
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine

N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 167915263) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine
PubChem CID167915263
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCOC[C@@H]1CCO[C@@H]1c1nc(NCc2ccco2)n[nH]1
InChIInChI=1S/C13H18N4O3/c1-18-8-9-4-6-20-11(9)12-15-13(17-16-12)14-7-10-3-2-5-19-10/h2-3,5,9,11H,4,6-8H2,1H3,(H2,14,15,16,17)/t9-,11-/m0/s1
InChIKeyKVWAVFLSMGHESN-ONGXEEELSA-N
XLogP1.73
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine with MolForge

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Related Compounds

5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine
CID 167819666
N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine
CID 115677915
4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 768148
5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 78318898
3-(furan-2-ylmethylamino)-4-(2-methoxyethylamino)cyclobut-3-ene-1,2-dione
CID 53368502
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80932085
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997531
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997534
5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 56851838
N-(furan-2-ylmethyl)-2-[[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42930588

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine (CID 167915263) is N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine is COC[C@@H]1CCO[C@@H]1c1nc(NCc2ccco2)n[nH]1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is KVWAVFLSMGHESN-ONGXEEELSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-18-8-9-4-6-20-11(9)12-15-13(17-16-12)14-7-10-3-2-5-19-10/h2-3,5,9,11H,4,6-8H2,1H3,(H2,14,15,16,17)/t9-,11-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine?
N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 278.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 167915263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).