5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine

C9H17N5 — CID 23159097

IUPAC5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine
SMILESCCCNC1CCc2nn(N)nc2C1
InChIInChI=1S/C9H17N5/c1-2-5-11-7-3-4-8-9(6-7)13-14(10)12-8/h7,11H,2-6,10H2,1H3
InChIKeyICYGNBDEKNUGCI-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.15
Rot. Bonds3

About 5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine

5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine (PubChem CID 23159097) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine.

Molecular Properties

Compound Name5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine
PubChem CID23159097
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine
SMILESCCCNC1CCc2nn(N)nc2C1
InChIInChI=1S/C9H17N5/c1-2-5-11-7-3-4-8-9(6-7)13-14(10)12-8/h7,11H,2-6,10H2,1H3
InChIKeyICYGNBDEKNUGCI-UHFFFAOYSA-N
XLogP-0.15
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine?
The IUPAC name of 5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine (CID 23159097) is 5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine.
What is the SMILES notation for 5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine?
The canonical SMILES for 5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine is CCCNC1CCc2nn(N)nc2C1.
What is the InChIKey of 5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine?
The InChIKey is ICYGNBDEKNUGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-2-5-11-7-3-4-8-9(6-7)13-14(10)12-8/h7,11H,2-6,10H2,1H3.
What are the key properties of 5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine?
5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine has a molecular weight of 195.27 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propyl-4,5,6,7-tetrahydrobenzotriazole-2,5-diamine is sourced from PubChem (CID 23159097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).