2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol

C9H14N14O — CID 130311388

IUPAC2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol
SMILESCCCn1nnc(Nc2nnc(Nc3nnn(CCO)n3)nn2)n1
InChIInChI=1S/C9H14N14O/c1-2-3-22-18-8(16-20-22)10-6-12-14-7(15-13-6)11-9-17-21-23(19-9)4-5-24/h24H,2-5H2,1H3,(H,10,12,13,18)(H,11,14,15,19)
InChIKeyCLEHIIKMMSTTNI-UHFFFAOYSA-N
MW334.31 g/mol
LogP-1.87
Rot. Bonds8

About 2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol

2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol (PubChem CID 130311388) has the molecular formula C9H14N14O and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol
PubChem CID130311388
Molecular FormulaC9H14N14O
Molecular Weight334.31 g/mol
Exact Mass334.15
IUPAC Name2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol
SMILESCCCn1nnc(Nc2nnc(Nc3nnn(CCO)n3)nn2)n1
InChIInChI=1S/C9H14N14O/c1-2-3-22-18-8(16-20-22)10-6-12-14-7(15-13-6)11-9-17-21-23(19-9)4-5-24/h24H,2-5H2,1H3,(H,10,12,13,18)(H,11,14,15,19)
InChIKeyCLEHIIKMMSTTNI-UHFFFAOYSA-N
XLogP-1.87
TPSA183.05 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.31
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Analyze 2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol with MolForge

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Related Compounds

2,2,2-trichloro-N-(2-propyltetrazol-5-yl)acetamide
CID 3330529
N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine
CID 18778310
4-chloro-N-(2-propyltetrazol-5-yl)benzamide
CID 893922
2,3,5,6-tetrafluoro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 17102661
2,4-dichloro-N-(2-propyltetrazol-5-yl)benzamide
CID 649694
2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide
CID 959578
propane;1-(2-propyltetrazol-5-yl)propan-1-ol
CID 145288431
N-ethyl-2-(2-fluoroethyl)tetrazol-5-amine;hydrochloride
CID 67337033
4-methyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 959838
2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
CID 954289
2-amino-2-(2-propyltetrazol-5-yl)acetic acid
CID 84769601
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide
CID 955478

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol (CID 130311388) is 2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol is CCCn1nnc(Nc2nnc(Nc3nnn(CCO)n3)nn2)n1.
What is the InChIKey of 2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol?
The InChIKey is CLEHIIKMMSTTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N14O/c1-2-3-22-18-8(16-20-22)10-6-12-14-7(15-13-6)11-9-17-21-23(19-9)4-5-24/h24H,2-5H2,1H3,(H,10,12,13,18)(H,11,14,15,19).
What are the key properties of 2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol?
2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol has a molecular weight of 334.31 g/mol, XLogP of -1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[6-[(2-propyltetrazol-5-yl)amino]-1,2,4,5-tetrazin-3-yl]amino]tetrazol-2-yl]ethanol is sourced from PubChem (CID 130311388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).