N,N-diethylethanamine;1H-1,2,4-triazol-5-amine

C8H19N5 — CID 70079889

IUPACN,N-diethylethanamine;1H-1,2,4-triazol-5-amine
SMILESCCN(CC)CC.Nc1ncn[nH]1
InChIInChI=1S/C6H15N.C2H4N4/c1-4-7(5-2)6-3;3-2-4-1-5-6-2/h4-6H2,1-3H3;1H,(H3,3,4,5,6)
InChIKeySVOWNAALOUJSCD-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.74
Rot. Bonds3

About N,N-diethylethanamine;1H-1,2,4-triazol-5-amine

N,N-diethylethanamine;1H-1,2,4-triazol-5-amine (PubChem CID 70079889) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is N,N-diethylethanamine;1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN,N-diethylethanamine;1H-1,2,4-triazol-5-amine
PubChem CID70079889
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC NameN,N-diethylethanamine;1H-1,2,4-triazol-5-amine
SMILESCCN(CC)CC.Nc1ncn[nH]1
InChIInChI=1S/C6H15N.C2H4N4/c1-4-7(5-2)6-3;3-2-4-1-5-6-2/h4-6H2,1-3H3;1H,(H3,3,4,5,6)
InChIKeySVOWNAALOUJSCD-UHFFFAOYSA-N
XLogP0.74
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Dimethyl-N'-1H-1,2,4-triazol-5-ylmethanimidamide
CID 541521
1-ethyl-1-(1H-1,2,4-triazol-5-yl)hydrazine
CID 72950781
4H-1,3,4-Triazol-3-amine, N-dimethylaminomethylene-
CID 9601559
(E)-N-(1H-1,2,4-triazol-5-yl)ethanimine
CID 20577180
5-(3-Triethylgermyl-2-propynylidene)amino-1,2,4-triazole
CID 129794757
3-N,3-N,5-N,5-N-tetraethyl-1H-1,2,4-triazole-3,5-diamine
CID 18342161
tetrabutylammonium 1H-1,2,4-triazole
CID 18956510
tritert-butyl(1H-1,2,4-triazol-5-yl)stannane
CID 21502782
tri(butan-2-yl)-(1H-1,2,4-triazol-5-yl)stannane
CID 21502783
4-ethyl-1H-1,2,4-triazol-4-ium
CID 21991066
butan-1-amine;1H-1,2,4-triazole
CID 22361871
N-(1H-1,2,4-triazol-5-yl)ethanimine
CID 54193303

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;1H-1,2,4-triazol-5-amine?
The IUPAC name of N,N-diethylethanamine;1H-1,2,4-triazol-5-amine (CID 70079889) is N,N-diethylethanamine;1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N,N-diethylethanamine;1H-1,2,4-triazol-5-amine?
The canonical SMILES for N,N-diethylethanamine;1H-1,2,4-triazol-5-amine is CCN(CC)CC.Nc1ncn[nH]1.
What is the InChIKey of N,N-diethylethanamine;1H-1,2,4-triazol-5-amine?
The InChIKey is SVOWNAALOUJSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H4N4/c1-4-7(5-2)6-3;3-2-4-1-5-6-2/h4-6H2,1-3H3;1H,(H3,3,4,5,6).
What are the key properties of N,N-diethylethanamine;1H-1,2,4-triazol-5-amine?
N,N-diethylethanamine;1H-1,2,4-triazol-5-amine has a molecular weight of 185.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 70079889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).