5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride

C6H11ClN4 — CID 86775257

IUPAC5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride
SMILESCl.c1nnn2c1CNCCC2
InChIInChI=1S/C6H10N4.ClH/c1-2-7-4-6-5-8-9-10(6)3-1;/h5,7H,1-4H2;1H
InChIKeyNTMBQBDPMBOWLX-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.19
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride

5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride (PubChem CID 86775257) has the molecular formula C6H11ClN4 and a molecular weight of 174.63 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride
PubChem CID86775257
Molecular FormulaC6H11ClN4
Molecular Weight174.63 g/mol
Exact Mass174.07
IUPAC Name5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride
SMILESCl.c1nnn2c1CNCCC2
InChIInChI=1S/C6H10N4.ClH/c1-2-7-4-6-5-8-9-10(6)3-1;/h5,7H,1-4H2;1H
InChIKeyNTMBQBDPMBOWLX-UHFFFAOYSA-N
XLogP0.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride (CID 86775257) is 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride is Cl.c1nnn2c1CNCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride?
The InChIKey is NTMBQBDPMBOWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.ClH/c1-2-7-4-6-5-8-9-10(6)3-1;/h5,7H,1-4H2;1H.
What are the key properties of 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride?
5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride is sourced from PubChem (CID 86775257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).