methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide

C11H22N4O — CID 160921955

IUPACmethane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide
SMILESC.CC(C)C(=O)NCn1cc(C(C)C)nn1
InChIInChI=1S/C10H18N4O.CH4/c1-7(2)9-5-14(13-12-9)6-11-10(15)8(3)4;/h5,7-8H,6H2,1-4H3,(H,11,15);1H4
InChIKeySSDNIVQUHPNYJZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.77
Rot. Bonds4

About methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide

methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide (PubChem CID 160921955) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide.

Molecular Properties

Compound Namemethane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide
PubChem CID160921955
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Namemethane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide
SMILESC.CC(C)C(=O)NCn1cc(C(C)C)nn1
InChIInChI=1S/C10H18N4O.CH4/c1-7(2)9-5-14(13-12-9)6-11-10(15)8(3)4;/h5,7-8H,6H2,1-4H3,(H,11,15);1H4
InChIKeySSDNIVQUHPNYJZ-UHFFFAOYSA-N
XLogP1.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-sulfanylethyl 2-(4-propan-2-yltriazol-1-yl)acetate
CID 155094676
4-(4-propan-2-yltriazol-1-yl)butanoic acid
CID 164942263
(4-propan-2-yltriazol-1-yl)methylphosphane
CID 59576295
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112520071
ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol
CID 170610061
methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate
CID 95721059
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590
ethyl 4-(4-propan-2-yltriazol-1-yl)butanoate
CID 164942287
2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide
CID 176586839
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115
N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419547
2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 114202379

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide?
The IUPAC name of methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide (CID 160921955) is methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide.
What is the SMILES notation for methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide?
The canonical SMILES for methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide is C.CC(C)C(=O)NCn1cc(C(C)C)nn1.
What is the InChIKey of methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide?
The InChIKey is SSDNIVQUHPNYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.CH4/c1-7(2)9-5-14(13-12-9)6-11-10(15)8(3)4;/h5,7-8H,6H2,1-4H3,(H,11,15);1H4.
What are the key properties of methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide?
methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide has a molecular weight of 226.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide is sourced from PubChem (CID 160921955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).