N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine

C9H19N5 — CID 83813459

IUPACN',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1ncn[nH]1
InChIInChI=1S/C9H19N5/c1-3-14(4-2)7-5-6-10-9-11-8-12-13-9/h8H,3-7H2,1-2H3,(H2,10,11,12,13)
InChIKeyFICKQUDMHPJJMB-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.95
Rot. Bonds7

About N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine

N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine (PubChem CID 83813459) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
PubChem CID83813459
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1ncn[nH]1
InChIInChI=1S/C9H19N5/c1-3-14(4-2)7-5-6-10-9-11-8-12-13-9/h8H,3-7H2,1-2H3,(H2,10,11,12,13)
InChIKeyFICKQUDMHPJJMB-UHFFFAOYSA-N
XLogP0.95
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-1,2,4-triazol-5-ylamino)ethanol
CID 66490785
N-butyl-1H-1,2,4-triazol-5-amine;phosphono dihydrogen phosphate
CID 174998951
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 110430335
2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
CID 136779917
3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one
CID 121205903
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 66342316
N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 55229294
N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 504351
2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136779915
N-methyl-1H-1,2,4-triazol-5-amine
CID 566828
N-[3-(3-amino-4-propoxyphenyl)propyl]-1H-1,2,4-triazol-5-amine
CID 82153914

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine (CID 83813459) is N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine is CCN(CC)CCCNc1ncn[nH]1.
What is the InChIKey of N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine?
The InChIKey is FICKQUDMHPJJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-3-14(4-2)7-5-6-10-9-11-8-12-13-9/h8H,3-7H2,1-2H3,(H2,10,11,12,13).
What are the key properties of N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine?
N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine has a molecular weight of 197.29 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 83813459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).