1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine

C8H16N4 — CID 66194250

IUPAC1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine
SMILESCCC(C)n1cc(CNC)nn1
InChIInChI=1S/C8H16N4/c1-4-7(2)12-6-8(5-9-3)10-11-12/h6-7,9H,4-5H2,1-3H3
InChIKeyYXVMEODVNNVVPO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.97
Rot. Bonds4

About 1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine

1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine (PubChem CID 66194250) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine
PubChem CID66194250
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine
SMILESCCC(C)n1cc(CNC)nn1
InChIInChI=1S/C8H16N4/c1-4-7(2)12-6-8(5-9-3)10-11-12/h6-7,9H,4-5H2,1-3H3
InChIKeyYXVMEODVNNVVPO-UHFFFAOYSA-N
XLogP0.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine (CID 66194250) is 1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine is CCC(C)n1cc(CNC)nn1.
What is the InChIKey of 1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine?
The InChIKey is YXVMEODVNNVVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-7(2)12-6-8(5-9-3)10-11-12/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine?
1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine has a molecular weight of 168.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 66194250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).