3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine

C5H7IN4 — CID 130114995

IUPAC3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
SMILESIc1nnn2c1CNCC2
InChIInChI=1S/C5H7IN4/c6-5-4-3-7-1-2-10(4)9-8-5/h7H,1-3H2
InChIKeyCCNHXVTYGIHPQB-UHFFFAOYSA-N
MW250.04 g/mol
LogP-0.01
Rot. Bonds

About 3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine

3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine (PubChem CID 130114995) has the molecular formula C5H7IN4 and a molecular weight of 250.04 g/mol. Its IUPAC name is 3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
PubChem CID130114995
Molecular FormulaC5H7IN4
Molecular Weight250.04 g/mol
Exact Mass249.97
IUPAC Name3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
SMILESIc1nnn2c1CNCC2
InChIInChI=1S/C5H7IN4/c6-5-4-3-7-1-2-10(4)9-8-5/h7H,1-3H2
InChIKeyCCNHXVTYGIHPQB-UHFFFAOYSA-N
XLogP-0.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
CID 56972876
3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 144863048
3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 82653371
4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonyl fluoride
CID 163333345
3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 121483953
N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 130559980
9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole
CID 91812066
2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83886221
3-piperidin-1-ylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 167313705
3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83904556
ethane;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
CID 143170711
2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
CID 134500266

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
The IUPAC name of 3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine (CID 130114995) is 3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
The canonical SMILES for 3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine is Ic1nnn2c1CNCC2.
What is the InChIKey of 3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
The InChIKey is CCNHXVTYGIHPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN4/c6-5-4-3-7-1-2-10(4)9-8-5/h7H,1-3H2.
What are the key properties of 3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine has a molecular weight of 250.04 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine is sourced from PubChem (CID 130114995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).