4-(1-methylcyclopropyl)-2H-benzotriazole

C10H11N3 — CID 173176699

IUPAC4-(1-methylcyclopropyl)-2H-benzotriazole
SMILESCC1(c2cccc3n[nH]nc23)CC1
InChIInChI=1S/C10H11N3/c1-10(5-6-10)7-3-2-4-8-9(7)12-13-11-8/h2-4H,5-6H2,1H3,(H,11,12,13)
InChIKeyFTYBRDNAZAAXIQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.01
Rot. Bonds1

About 4-(1-methylcyclopropyl)-2H-benzotriazole

4-(1-methylcyclopropyl)-2H-benzotriazole (PubChem CID 173176699) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(1-methylcyclopropyl)-2H-benzotriazole.

Molecular Properties

Compound Name4-(1-methylcyclopropyl)-2H-benzotriazole
PubChem CID173176699
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(1-methylcyclopropyl)-2H-benzotriazole
SMILESCC1(c2cccc3n[nH]nc23)CC1
InChIInChI=1S/C10H11N3/c1-10(5-6-10)7-3-2-4-8-9(7)12-13-11-8/h2-4H,5-6H2,1H3,(H,11,12,13)
InChIKeyFTYBRDNAZAAXIQ-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2H-benzotriazol-4-ylmercury
CID 70502598
2H-benzotriazol-4-ylboronic acid
CID 119085064
2H-benzotriazol-4-amine;dihydrochloride
CID 162339490
4-(2H-benzotriazol-4-yloxy)-2H-benzotriazole
CID 66783626
2H-benzotriazol-4-ol;1,1,3,3-tetramethylurea
CID 174414010
4-methylsulfonyl-2H-benzotriazole
CID 54569293
4-[1-(2H-benzotriazol-4-yl)-6-butyl-2,3,4,5,6-pentamethylcyclohexa-2,4-dien-1-yl]oxy-2H-benzotriazole
CID 118289804
4-methyl-2H-benzotriazole;morpholine
CID 159945175
2H-benzotriazol-4-ol;formic acid
CID 175461289
1-ethyl-2-(1-methylcyclopropyl)benzene
CID 159457971
N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine
CID 67606886
2,3-bis(2H-benzotriazol-4-ylmethyl)aniline
CID 69241387

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcyclopropyl)-2H-benzotriazole?
The IUPAC name of 4-(1-methylcyclopropyl)-2H-benzotriazole (CID 173176699) is 4-(1-methylcyclopropyl)-2H-benzotriazole.
What is the SMILES notation for 4-(1-methylcyclopropyl)-2H-benzotriazole?
The canonical SMILES for 4-(1-methylcyclopropyl)-2H-benzotriazole is CC1(c2cccc3n[nH]nc23)CC1.
What is the InChIKey of 4-(1-methylcyclopropyl)-2H-benzotriazole?
The InChIKey is FTYBRDNAZAAXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-10(5-6-10)7-3-2-4-8-9(7)12-13-11-8/h2-4H,5-6H2,1H3,(H,11,12,13).
What are the key properties of 4-(1-methylcyclopropyl)-2H-benzotriazole?
4-(1-methylcyclopropyl)-2H-benzotriazole has a molecular weight of 173.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclopropyl)-2H-benzotriazole is sourced from PubChem (CID 173176699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).