methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)

C30H62N6 — CID 160506972

IUPACmethane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)
SMILESC.C.CC(C)CCCCCn1nncc1CC(C)C.CC(C)CCCCCn1nncc1CC(C)C
InChIInChI=1S/2C14H27N3.2CH4/c2*1-12(2)8-6-5-7-9-17-14(10-13(3)4)11-15-16-17;;/h2*11-13H,5-10H2,1-4H3;2*1H4
InChIKeyQSNQVLYYVXNIKQ-UHFFFAOYSA-N
MW506.87 g/mol
LogP8.66
Rot. Bonds16

About methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)

methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole) (PubChem CID 160506972) has the molecular formula C30H62N6 and a molecular weight of 506.87 g/mol. Its IUPAC name is methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole).

Molecular Properties

Compound Namemethane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)
PubChem CID160506972
Molecular FormulaC30H62N6
Molecular Weight506.87 g/mol
Exact Mass506.50
IUPAC Namemethane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)
SMILESC.C.CC(C)CCCCCn1nncc1CC(C)C.CC(C)CCCCCn1nncc1CC(C)C
InChIInChI=1S/2C14H27N3.2CH4/c2*1-12(2)8-6-5-7-9-17-14(10-13(3)4)11-15-16-17;;/h2*11-13H,5-10H2,1-4H3;2*1H4
InChIKeyQSNQVLYYVXNIKQ-UHFFFAOYSA-N
XLogP8.66
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.87
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylbutyl)-1-(8-methylnonyl)triazole
CID 59827215
1-(9-methyldecyl)-5-(4-methylpentyl)triazole
CID 121260609
1-(7-methyloctyl)-5-(4-methylpentyl)triazole
CID 59827225
1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole)
CID 158830017
5-butyl-1-(7-methyloctyl)triazole
CID 69281455
5-hexyl-1-(6-methylheptyl)triazole
CID 126566666
1-(5-methylhexyl)-5-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;1-(4-methylpentyl)-4-(2-methylpropyl)triazole
CID 160995329
4-[5-(6-methylheptyl)triazol-1-yl]butane-1-thiol
CID 130380781
5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole
CID 135219490
5-(4-methylpentyl)-1-(6-methylsulfanylhexyl)triazole
CID 126566664
1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole)
CID 159671207
bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 158745845

Frequently Asked Questions

What is the IUPAC name of methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)?
The IUPAC name of methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole) (CID 160506972) is methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole).
What is the SMILES notation for methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)?
The canonical SMILES for methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole) is C.C.CC(C)CCCCCn1nncc1CC(C)C.CC(C)CCCCCn1nncc1CC(C)C.
What is the InChIKey of methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)?
The InChIKey is QSNQVLYYVXNIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H27N3.2CH4/c2*1-12(2)8-6-5-7-9-17-14(10-13(3)4)11-15-16-17;;/h2*11-13H,5-10H2,1-4H3;2*1H4.
What are the key properties of methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)?
methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole) has a molecular weight of 506.87 g/mol, XLogP of 8.66, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole) is sourced from PubChem (CID 160506972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).