3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine

C9H13N5O — CID 66275154

IUPAC3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(C(C)Nc2n[nH]c(N)n2)o1
InChIInChI=1S/C9H13N5O/c1-5-3-4-7(15-5)6(2)11-9-12-8(10)13-14-9/h3-4,6H,1-2H3,(H4,10,11,12,13,14)
InChIKeyTVWICZXMAIWPEH-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.46
Rot. Bonds3

About 3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66275154) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID66275154
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(C(C)Nc2n[nH]c(N)n2)o1
InChIInChI=1S/C9H13N5O/c1-5-3-4-7(15-5)6(2)11-9-12-8(10)13-14-9/h3-4,6H,1-2H3,(H4,10,11,12,13,14)
InChIKeyTVWICZXMAIWPEH-UHFFFAOYSA-N
XLogP1.46
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine
CID 82237135
6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79828244
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806836
3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 146673450
6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80800528
6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
CID 113286476
5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016213
N-[1-(5-methylfuran-2-yl)ethyl]pyridin-4-amine
CID 61039528
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659606
6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717909
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99809761

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine (CID 66275154) is 3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine is Cc1ccc(C(C)Nc2n[nH]c(N)n2)o1.
What is the InChIKey of 3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is TVWICZXMAIWPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-5-3-4-7(15-5)6(2)11-9-12-8(10)13-14-9/h3-4,6H,1-2H3,(H4,10,11,12,13,14).
What are the key properties of 3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 207.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66275154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).