1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine

C10H16N6 — CID 102807714

IUPAC1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine
SMILESCc1nn(C)cc1-n1nnc(N)c1C(C)C
InChIInChI=1S/C10H16N6/c1-6(2)9-10(11)12-14-16(9)8-5-15(4)13-7(8)3/h5-6H,11H2,1-4H3
InChIKeyHCRZQHVYEMAQGY-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.01
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine

1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine (PubChem CID 102807714) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine
PubChem CID102807714
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine
SMILESCc1nn(C)cc1-n1nnc(N)c1C(C)C
InChIInChI=1S/C10H16N6/c1-6(2)9-10(11)12-14-16(9)8-5-15(4)13-7(8)3/h5-6H,11H2,1-4H3
InChIKeyHCRZQHVYEMAQGY-UHFFFAOYSA-N
XLogP1.01
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine
CID 79500843
1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine
CID 79500698
N-[1-[1-(1,3-dimethylpyrazol-4-yl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 102806980
4-chloro-3-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 102807097
1-(4-bromo-2-nitrophenyl)-5-propan-2-yltriazol-4-amine
CID 79509041
5-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]-2,4-difluoroaniline
CID 102807099
4-(4-amino-5-propan-2-yltriazol-1-yl)-3-nitrobenzonitrile
CID 79507456
2-chloro-3-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 102807107
1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
CID 79501179
4-(1,3-dimethylpyrazol-4-yl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 102806254
4-(1-chloropropyl)-1-(1,3-dimethylpyrazol-4-yl)triazole
CID 102807363
1-(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-propan-2-yltriazol-4-amine
CID 79508096

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine (CID 102807714) is 1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine is Cc1nn(C)cc1-n1nnc(N)c1C(C)C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine?
The InChIKey is HCRZQHVYEMAQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-6(2)9-10(11)12-14-16(9)8-5-15(4)13-7(8)3/h5-6H,11H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine?
1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine has a molecular weight of 220.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 102807714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).