2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine

C7H15N5 — CID 103390085

IUPAC2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine
SMILESCC(CN)NCCc1ncn[nH]1
InChIInChI=1S/C7H15N5/c1-6(4-8)9-3-2-7-10-5-11-12-7/h5-6,9H,2-4,8H2,1H3,(H,10,11,12)
InChIKeyBIQMKTUMVCCYQU-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.72
Rot. Bonds5

About 2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine

2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine (PubChem CID 103390085) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine
PubChem CID103390085
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine
SMILESCC(CN)NCCc1ncn[nH]1
InChIInChI=1S/C7H15N5/c1-6(4-8)9-3-2-7-10-5-11-12-7/h5-6,9H,2-4,8H2,1H3,(H,10,11,12)
InChIKeyBIQMKTUMVCCYQU-UHFFFAOYSA-N
XLogP-0.72
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-2-amine
CID 64547951
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptan-2-amine
CID 64546765
1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548319
1-(5-bromofuran-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 104653041
3-methyl-1-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-1-amine
CID 64548527
N-[3-(1H-1,2,4-triazol-5-yl)propyl]hex-5-en-2-amine
CID 104655720
3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106112977
1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548139
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532031
1-(4-nitrophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548130
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine;dihydrochloride
CID 154878724
3-[1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]benzenesulfonamide
CID 64547537

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine (CID 103390085) is 2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine is CC(CN)NCCc1ncn[nH]1.
What is the InChIKey of 2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine?
The InChIKey is BIQMKTUMVCCYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-6(4-8)9-3-2-7-10-5-11-12-7/h5-6,9H,2-4,8H2,1H3,(H,10,11,12).
What are the key properties of 2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine?
2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine has a molecular weight of 169.23 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 103390085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).